
5th International Electronic Conference on Medicinal Chemistry
Part of the International Electronic Conference on Medicinal Chemistry series
1–30 Nov 2019
Drug Discovery and Development
- Go to the Sessions
- Event Details
Welcome from the Chair
Proud of the success of the previous editions, it is our pleasure to invite you to contribute to the 5th International Electronic Conference on Medicinal Chemistry. The Conference, organized and sponsored by the peer-reviewed journal Pharmaceuticals, will be held online during the month of November 2019.
The aim of the Conference is to gather researchers from all over the world and encourage discussions on any scientific field related to drug discovery and development. Posting presentations, videos, or posters disclosing your recent outstanding results enables you to take advantage of the conference to promote your work among thousands of your peers. Participation, as an author or a visitor, is ABSOLUTELY FREE; simply register on the home page.
This year, as the conference sponsor, Pharmaceuticals will be giving an award for the Best Presentation as elected by the scientific committee, which consists of 500 Swiss Francs. We hope you will be able to join this exciting event and enjoy a stimulating exchange with your peers around the world. Also, we will launch a Special Issue covering the event.
On behalf of our dynamic editorial staff and active scientific committee, we warmly invite you to join us during this fifth edition and we look forward to posting your contributions.
Call for Papers
The members of the scientific committee are pleased to announce the Call for Papers for the 5th International Electronic Conference on Medicinal Chemistry and to invite each researcher working in that exciting field of science to share his/her recent results with his/her colleagues around the world.
The conference will cover a wide range of aspects involved in drug discovery and development. A non exhaustive list of topics that will be considered comprises:
- ADMET
- Animal experimentation
- Assay development
- Biomarkers
- Biomolecules
- Biosensors
- Biotechnology
- Chemical synthesis
- Clinical studies and side effects reports
- Combinatorial chemistry
- Drug delivery (including bioconjugates and prodrugs)
- High throughput screening
- Hit identification
- Imaging techniques
- In silico experiments
- In vitro studies
- Lead optimization
- Omics
- Pharmaceutical analysis
- Scale-up
- Structure–activity relationships
- Target selection
Participation at the 5th International Electronic Conference on Medicinal Chemistry is absolutely free of charge for contributors and visitors. Researchers are invited to provide a short abstract on line at https://www.sciforum.net/login from now until October 25, 2019. Acceptance will be notified within a week after submission of the abstract. Then the author(s) will be asked to present their work (in English) in the form of a slide show (or a video) using the template provided by the conference (see Instructions for Authors). Posters, realized following the template provided online, will also be considered. All accepted submissions will be displayed online, at https://sciforum.net/conference/ECMC2019, on November 1-30, 2019.
Authors of the most outstanding contributions, as selected by the Scientific Committee, will be invited to publish their work as a research article free of charge or at a discounted price, in a Special Issue of the journal Pharmaceuticals.
The Scientific Committee looks forward to receiving contributions in response to this call and will be glad to provide any further information to interested parties. Questions may be addressed to the chairman via e-mail at [email protected] or to the Pharmaceuticals editorial office at [email protected].
We thank you in advance for your attendance of this conference and look forward to a stimulating exchange.
Conference Organizers

MDPI-Pharmaceuticals
MDPI
Pharmaceuticals (ISSN 1424-8247) is an international scientific journal of medicinal chemistry and related drug sciences.
[email protected]
Conference Chairs

Formerly head of the Department of Organic Chemistry (FS), University of Mons-UMONS, 7000 Mons, Belgium Website
Editor-in-Chief of Pharmaceuticals, Former Head of the Department of Organic Chemistry, University of Mons-UMONS, Belgium
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Conference Committee

Department of Molecular Biology, Instituto de Parasitología y Biomedicina López-Neyra, (IPBLN-CSIC), PTS Granada, Av del Conocimiento 17, 18016 Granada, Spain
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Center for Discovery and Innovation in Parasitic Diseases, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, 9500 Gilman Drive, La Jolla, CA 92093, USA
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Department of Life and Environmental Sciences, Unit of Pharmaceutical, Pharmacological and Nutraceutical Sciences Via Ospedale 72, I-09124 Cagliari, Italy
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Università degli Studi di Cagliari, Dipartimento di Scienze Chimiche e Geologiche, Cittadella Universitaria, SS 554, bivio per Sestu, 09042, Monserrato (CA), Italy
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Laboratório de Química Orgânica e Farmacêutica, Departamento de Ciências, Químicas, Faculdade de Farmácia, Universidade do Porto, Rua Jorge Viterbo Ferreira 228, 4050-313, Porto, Portugal,
Interdisciplinar de Investigação Marinha e Ambiental (CIIMAR/CIMAR), Universidade do Porto, Terminal de Cruzeiros do Porto de Leixões, Avenida General Norton de Matos, S/N 4450-208 Matosinhos, Portugal
[email protected]

Formerly professor at the Haute Ecole Provinciale de Hainaut-Condorcet, 7330 Saint-Ghislain, Belgium
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Faculty of Pharmacy, Universidade de Lisboa, Avenida Professor Gama Pinto, 1649-003 Lisboa, Portugal
[email protected]

Institute of Genetics and Animal Breeding of the Polish Academy of Sciences, 05-552 Jastrzebiec, Poland,
Department of Pharmacognosy, University of Vienna, Austria,
International Natural Product Sciences Taskforce (INPST)
[email protected]
Keynote Speakers

Chief Executive Medical Director, The Cyprus Institute of Neurology & Genetics, PO Box 23462, 1683 Nicosia, Cyprus
Use of Aptamers to Deliver Therapeutic Genetic Sequences in Muscle
Leonidas Phylactou was born in Paphos, Cyprus on 2nd January 1970. He studied Medical Biochemistry at the University of Birmingham in the UK and then did a PhD in Molecular Genetics and Gene Therapy in the same University, although most of the time was spent at the University of Connecticut Health Centre in the USA. He then moved back to the UK, to the University of Oxford as a post-doctoral scientist, where he set up a team working on gene therapy for Myotonic Dystrophy. In 1998 he established a research group at the Cyprus Institute of Neurology and Genetics working on the gene function and gene therapy. In 2005 he was appointed Head of the Department of Molecular Genetics, Function and Therapy in which, apart from the research activities, he is responsible for diagnostic services in Medical Genetics. His research interests focus on the gene therapy for muscular dystrophy, the identification of biomarkers in Myotonic Dystrophy and the investigation of molecular causes for inherited diseases. Since November 2015 he is the Chief Executive Medical Director of the Cyprus Institute of Neurology and Genetics (CING) and the Provost of the Cyprus School of Molecular Medicine, the postgraduate school of the CING.
gene therapy, aptamers, oligonucleotides, muscle, muscular dystrophy, systematic evolution of ligands by exponential enrichment.
[email protected]

Assistant Professor at the Department of Biomolecular Sciences, Section of Chemistry, School of Pharmacy, University of Urbino, Italy
Simone Lucarini studied Chemistry at the University of Bologna (Italy), where he graduated in 2000. He received his PhD in Chemistry and Pharmaceutical Sciences at the University of Urbino (Italy) in 2005. In 2003, he spent a year at the University of Kansas (USA) working with Prof. Kristin Bowman-James in the field of “anion recognition”. In 2005 he moved to the University of Tokyo (Japan) as a winner of the JSPS long term fellowship to run a post-doc with Prof. Shu Kobayashi. During this period, he developed a new synthetic method, based on an enantioselective desymmetrization of meso-aziridines, which is plausibly applicable to the production of (-) - shikimic acid, a key intermediate for the synthesis of Tamiflu. In 2007 he came back to Urbino as a post-doc and in 2013 became assistant professor in Medicinal Chemistry. His research interests range from Medicinal, Supramolecular and Organic Chemistry in order to obtain new original methods for obtaining achiral and chiral molecules of pharmaceutical-biological interest, together with the development of new synthetic methods of potential industrial interest. In detail, he is developing new methodologies for the synthesis of natural products, containing the indole nucleus, with potential antitumor and antibacterial activities. Recently, he is playing with the chemistry of sugars designing and synthesizing new glycolipids as biocompatible antibacterial agents and as emulsifying agents for pharmaceutical applications. From 2008 is professor of drug analysis at the school of pharmacy at Urbino and from 2012 is a member of the organizing committee of the European School of Medicinal Chemistry.
medicinal chemistry; NMR; synthetic organic chemistry; anticancer drugs; melatonin; bisindoles; sugar-based surfactants; adenosine A2A receptor ligands; asymmentric synthesis; macrocycles; foldamers
[email protected]

Università degli Studi G. d'Annunzio Chieti e Pescara | UNICH · Department of Pharmacy
Pharma-toxicological and phytochemical investigations on Tanacetum parthenium and Salix alba extracts: Focus on potential application as anti-migraine agents
The pharmacological research activity of Prof. C. Ferrante is focused on the following main research fields: Role of endogenous peptides on food intake and energy expenditure control; Protective effects of medicinal plants and extracts, with particular regards to inflammatory and neurodegenerative diseases; Pharmacology of central monoaminergic system; Optimization of preclinical pharmacological models for the study of the mechanism of action of drugs. Prof. C. Ferrante is co-author of 67 publications in international journals surveyed by ISI Science Citation Index.
Salix alba; Tanacetum parthenium; cortical spreading depression; apoptosis; serotonin; proteomic analysis; phytochemical analysis.
[email protected]

Pharma-toxicological and phytochemical investigations on Harpagophytum procumbens DC. ex Meisn. water extract: potential application in colon inflammation
Harpagophytum procumbens; IBDs; Oxidative stress; Inflammation; Proteomic analysis; Phytochemicqal analysis.
[email protected]

Novel menthone derivatives with anticonvulsant effect
Mariia Nesterkina studied Chemistry at I.I. Mechnikov Odessa National University (Ukraine), where she graduated in 2014. Then she successfully defended her PhD thesis in Bioorganic Chemistry at the Institute of Bioorganic Chemistry and Petrochemistry (Kyiv, Ukraine) in 2017. Her research interests range from Bioorganic Chemistry – synthesis of natural occurring compounds with their further physico-chemical analysis – to Pharmacology – instigation of anticonvulsant, analgesic, anti-inflammatory activity of novel compounds. Additionally, she studies the influence of synthesized derivatives on phospholipids of artificial membranes and lipids isolated from the rat stratum corneum. Since 2019 she is Associate Professor at Odessa National Polytechnic University (Ukraine).
bioorganic chemistry; natural occurring compounds; terpenoids; synthetic organic chemistry; anticonvulsant activity; analgesic action; artificial membranes; stratum corneum lipids; TRP ion channels
[email protected]

Laboratório de Química Orgânica e Farmacêutica, Departamento de Ciências, Químicas, Faculdade de Farmácia, Universidade do Porto, Rua Jorge Viterbo Ferreira 228, 4050-313, Porto, Portugal,
Interdisciplinar de Investigação Marinha e Ambiental (CIIMAR/CIMAR), Universidade do Porto, Terminal de Cruzeiros do Porto de Leixões, Avenida General Norton de Mato
[email protected]

Faculty of Pharmacy, Universidade de Lisboa, Avenida Professor Gama Pinto, 1649-003 Lisboa, Portugal
Tryptophanol-derived oxazoloisoindolinones: Novel small molecule p53 activators with promising antitumor activity
Maria M. M. Santos is Principal Researcher of the group of Medicinal Chemistry of the Faculty of Pharmacy of the University of Lisbon, she is member of the EXECUTIVE COMMITTEE of the medicinal chemistry division of Portuguese Society of Chemistry (SPQ), and she is the PORTUGUESE NAO LIAISON OFFICER of the European Federation of Medicinal Chemistry (EFMC). The ultimate goal of her research group is the development of general synthetic methods and strategies, and their application to the synthesis of bioactive molecules (e.g. NMDA receptor antagonists and p53 activators).
Cancer; MDMs; p53; tryptophanol; isoindolinone
[email protected]

Mauricio Homem-de-Mello is a full time professor at Universidade de Brasília, in Brazil. His Ph.D. degree in Toxicology was obtained in 2009, at Universidade de São Paulo. He is an experimental toxicologist that has moved to the “in silico” research. Since his early studies the interest in action mechanisms of drugs was the main focus. The computational approach is now the tool that he is going deeper.
Mechanistic Toxicology, Therapeutic drugs toxicology, PK/PD, “in silico” toxicology/pharmacology, Tuberculosis therapeutics
[email protected]

Department of Molecular Biology, Instituto de Parasitología y Biomedicina López-Neyra, (IPBLN-CSIC), PTS Granada, Av del Conocimiento 17, 18016 Granada, Spain
The 3’UTR of the West Nile Virus genomic RNA is a potential antiviral target site
Genomic RNA; ncRNAs; WNV; antiviral; RNA as target
[email protected]

Chemical imaging in pharmaceutics for formulation analysis, quality control, and monitoring of formulation interactions with biological tissue
Dr. Ievgeniia Iermak is the research associate in the Laboratory of Biophotonics, University of Sao Paulo, Brazil. Her research and teaching activities are dedicated to studying molecular mechanisms of cancer treatment, microbial control, and efficacy of pharmaceutical formulations. Ievgeniia has a life-long interest in advanced imaging techniques application in life sciences and pharmaceutics.
Microscopy; Raman microspectroscopy; quality control; method development; drug delivery; topical formulation
[email protected]

3D Printing for medicinal chemistry in space: Crafting our way to Mars
Christos Tsagkaris is studying Medicine in the University of Crete (Heraklion, Greece). He is affiliated to the Association of European Cancel Leagues (ECL) as a Youth Ambassador for Greece and he currently serves as Editor in Chief in NovelMeds, a health science magazine focusing on Sustainable Health and in the European Student Think Tank. He has participated in several scientific conferences and events as an organizer, ambassador or presenter. He is also involved in several EU focused students associations including the Bringing Europeans Together Association - Greece and the Students Association for International Affairs. He has a keen interest on Space Medicine and Medical Humanities. Andrea Camera is studying Medicine in the University of Brescia (Brescia, Italy). Ana Sofia Mota is studying Medicine in the University of Lisbon Faculty of Medicine (Lisbon, Portugal) and Maria Lydakaki is studying Law in the University of Athens, Faculty of Law. They have all conducted research in their fields and share a keen interest in Space Science and in mutual aspects of Technology, Medicine and Law.
Space, 3D Printing, Jurisdiction
[email protected]

Regional Centre of Advanced Technologies and Materials (RCPTM), Palacký University
Šárka Pospíšilová is a Ph.D student at Regional Centre of Advanced Technologies and Materials (RCPTM), Palacký University in Olomouc, Czech Republic. She obtained her Doctor of Pharmacy degree (PharmDr.) at University of Veterinary and Pharmaceutical Sciences in Brno, Czech Republic. Dr. Pospíšilová deepened her professional knowledge at several research-fellowships abroad, such as the Faculty of Pharmacy of the University of Ljubljana (Slovenia), the Department of Biological Sciences of the Cork Institute of Technology (Ireland), the Center for Agricultural Research of the Hungarian Academy of Sciences (Hungary), etc. Her research focuses on the investigation of antimicrobial activity of newly synthesized compounds, including (aza)naphthalenes, thiosemicarbazones, salicylamides, derivatives of carbamic acid and metal complexes. These types of compounds as antimicrobially multi-target agents tested against wide spectrum of microorganisms, such as staphylococci, enterococci, mycobacteria, and various plant pathogens, seem to be promising for overcoming resistance/multi-drug resistance of microorganisms. Her current research activities are mainly devoted to anti-biofilm active compounds and interaction with quorum-sensing. She is an author/co-author of 2 patent applications, 11 peer-reviewed scientific publications, and many contributions at international conferences and workshops.
antibacterial activity, antimycobacterial activity, biofilm, structure-activity relationships
[email protected]

My scientific experience started during my BSc graduation at Biochemistry (Faculty of Sciences of the University of Porto and in the Abel Salazar’s Biomedical Institute of the University of Porto), when in the final year (2017), I developed a research project, under the curricular unit “Projeto”. During this period I worked on a project related to the study of cannabinoid compounds as anti-cancer drugs in estrogen receptor-positive breast cancer cells, in the Faculty of Pharmacy of the University of Porto, under the supervision of Doctor Cristina Amaral and Prof. Doctor Natércia Teixeira. This work allowed two poster presentations, one at the 12th YES – Young European Scientist Meeting and at the other on I International Congress about Cannabis and its Derivatives: Health, Education and Law. The abstract submitted to the 12th YES – Young European Scientist Meeting was further published at the Porto Biomedical Journal (see below). As my ambition was to improve my professional skills and my scientific knowledge, in the end of 2017 I started the Master degree in Biochemistry in the Faculty of Sciences of the University of Porto and in the Abel Salazar’s Biomedical Institute of the University of Porto. Currently, I am finishing my MSc thesis project, which was performed in the Faculty of Sciences of the University of Porto and in the Faculty of Pharmacy of the University of Porto, under the supervision of Doctor Cristina Amaral, Prof. Doctor Natércia Teixeira and Prof. Doctor Pedro Alexandrino Fernandes. The work presented at this conference is part of the project that I have been developing during my MSc thesis. The project aims to discover multi-target compounds for estrogen receptor-positive breast cancer treatment, as this represents a novel and promising therapeutic approach for this type of cancer.During the last year, and under this project, I presented two posters at the Encontro de Jovens Investigadores de Biologia Computacional e Estrutural (EJIBCE) and at the 14th YES – Young European Scientist Meeting, as well as, an oral presentation at the 12º Encont
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Patrícia Dias de Mendonça Rijo has a graduation in Chemistry by the Faculty of Sciences at the University of Lisbon (FCUL), and Master and PhD degrees in Pharmaceutical and Therapeutic Chemistry by the Faculty of Pharmacy at the University of Lisbon (FFUL). Currently, she is Assistant Professor at the School of Sciences and Health Technologies (ECTS) at the Universidade Lusófona de Humanidades e Tecnologias (ULHT, Lisbon, Portugal) since 2001, where she is responsible for the Coordination of several disciplines in related domains of Chemistry, namely, Medicinal Chemistry and Pharmacognosy. Moreover, she is a member of the Scientific Council of ECTS (ULHT). She has focused her research in the medicinal chemistry, phytochemistry and pharmacognosy areas with particular emphasis in Natural Products Chemistry. She published more than seventy papers in international peer-reviewed journals and has over two hundred communications (oral and panel) presented at both national and international meetings and conferences. In addition, she has two international registered patents.
[email protected]

Drug (re-)design guided by biophysical characterization of interactions with biomimetic membranes
Eduarda Fernandes graduated in Biomedical Sciences by University of Beira Interior in 2014 and is a MSc in Biophysics and Bionanosystems from University of Minho (2017). From 2017 to 2018 she was promotor and founder of the project “EyeOnDrug”, that was based on developing nanotechnological solutions for drug and formulation profiling, for which she was awarded with an entrepreneur fellowship funded by IAPMEI, Portugal. In 2018 she continued developing this work as a research fellow in Centre of Physics of the Universities of Minho and Porto (CF-UM-UP), where she is currently a first year PhD student in Materials Engineering. The scientific research activity of Eduarda has been focused on the application of several biophysical and physical‐chemical techniques to characterize the interaction between bioactives, including newly-synthesized drugs, and biomimetic interfaces to establish a pharmacokinetic profiling to support drug design/development and formulation development. Among other activities, Eduarda has participated in several international and national conferences presenting 7 oral communications as first author (2 of which as invited speaker) and 5 posters, two of which was awarded as the Best Poster. Moreover, she has published 3 papers (first author of 2 papers) in journals of high impact and quartile 1 in the area of pharmaceutics, molecular sciences and analytical chemistry. She is also co-author of two book chapters (accepted for publication in “Functional lipid nanosystems in cancer” and “Nanoparticles for Brain Drug Delivery”).
pharmacokinetics; ADME; biophysics; biomimetic membrane models
[email protected]

Design, synthesis and in vitro biological evaluation of acrylamide derivatives against Chikungunya virus
Edeildo Ferreira da Silva-Júnior studied Pharmacy at the Federal University of Alagoas, Maceió – Brazil. Subsequently, he received his Master’s degree in Pharmaceutical Sciences by the Federal University of Alagoas, Brazil, as well. Since his Master degree, he is working in the medicinal chemistry of Neglected Tropical Diseases (NTD’s), collecting valuable experiences on the researches addressed to the development of novel synthetic compounds with activity against Leishmania spp. and Trypanosoma cruzi, in association with collaborators from the University of Strasbourg – France. He has Ph.D. degree in Chemistry and Biotechnology, with focus on the Medicinal and Biological Chemistry, obtained at the Federal University of Alagoas. During his Ph.D., he developed part of his project and thesis at the Institute of Pharmacy and Biochemistry from the Johannes Gutenberg University of Mainz, Germany. Current, he holds a post-doctoral position at the Federal University of Alagoas, where he acts as Project-Leader and Laboratory-Head at the Institute of Pharmaceutical Sciences. Furthermore, he develops projects involving collaborators from the Johannes Gutenberg University of Mainz and Würtzburg University (Germany). He has several patents and high-qualified publications in organic and medicinal chemistry fields, such as Bioorganic Chemistry, Molecules, Current Topics in Medicinal Chemistry, Biosensors & Bioelectronics, Bioorganic & Medicinal Chemistry, Current Drug Metabolism, Biomedicine & Pharmacotherapy, and others.
Virtual screening; acrylamides; Chikungunya; molecular docking; E protein
[email protected]
Keynote Presentations
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Synthetic strategies towards bioactive nature-inspired indole-containing alkaloids
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Novel menthone derivatives with anticonvulsant effect
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Antibacterial and anti-biofilm activity of quinazolinone derived Schiff base and its Cu(II) complex
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Drug (re-)design guided by biophysical characterization of interactions with biomimetic membranes
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A novel approach for ER+ breast cancer treatment: A new compound that modulates aromatase and ER
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3D Printing for medicinal chemistry in space: Crafting our way to Mars
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Use of Aptamers to deliver therapeutic genetic sequences in muscle
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Abietane Diterpenoids from Plectranthus spp. as a potential new class of Protein Kinase C Modulators
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RNA aptamers: antiviral drugs of the future
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List of accepted submissions (113)
Id | Title | Authors | Presentation Video | Presentation Pdf | |||||||||||||||||||||||||||||||||||||
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sciforum-027445 | Photodynamic therapy on a human lung cancer cell line a549 with new bodipy photosensitizers | , , , , | N/A |
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Lung cancer is the most incident and the deadliest cancer for both men and women. Therefore, the need for new and more effective therapies with fewer side effects is a concern. Photodynamic Therapy (PDT) relies on the administration of a photosensitizer that is subsequently activated by irradiation with light of appropriate wavelength. As a result, reactive oxygen species (ROS) are produced leading to cell death. PDT use in the treatment of cancer is still limited, due to the low number of new approved drugs. In light with this, this work aims to develop new photosensitizers for PDT. As an alternative class of the porphyrin-based photosensitizers, two compounds of the family of the boron−dipyrromethenes (BODIPY) have been synthesized and evaluated on the human lung cancer cell line A549. In this study, we used the MTT and SRB assays to assess the cytotoxicity of the compounds with concentrations ranging from 0,1 to 50 μM. Both compounds are photocytotoxics at the higher concentration studied. The most effective compound in the photocytotoxicity studies was the BODIPY 2 when used in a concentration of 10 and 50 µM. These promising results uphold further studies. |
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sciforum-028120 | Enhancing anticancer activity of spiropyrazoline oxindoles by disrupting p53-MDMs PPIs | , , , , | N/A |
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Cancer is a major public health problem worldwide with 18.1 million new cases of cancer and 9.6 million deaths worldwide in 20181. The protein p53 is involved in many biological processes that are important to maintain the normal function of the cells (e.g. apoptosis, cell arrest, and DNA repair). It is an attractive target in oncology because it can modulate several additional cellular processes that are relevant for the suppression of tumour development, such as opposing oncogenic metabolic reprogramming, activating autophagy, and restraining invasion and metastasis. In all types of human cancers, the p53 tumour suppressor function is inactivated by mutation or gene deletion or by negative regulators such as MDM2 and MDMX. In the last years, the most popular approach among medicinal chemists to activate the wild-type p53 was the inhibition of p53-MDM2 protein-protein interaction (PPI) using small molecules. However, it is currently known that the full reactivation of p53 is only achieved when the interactions of p53 with both negative regulators are inhibited. Due to the lack of dual p53-MDM2/X PPIs inhibitors in clinical trials, it is urgent to develop small molecules that inhibit p53-MDMs PPIs2. Our research team has been working on the development and optimization of spiropyrazoline oxindoles to obtain dual p53-MDM2/X PPIs inhibitors. Hence, we have already developed derivatives with good antiproliferative activities in HCT-116 p53(+/+) human colorectal carcinoma cell line, which induce apoptosis and cell cycle arrest at G0/G1 phase, upregulate p53 steady-state levels, and lead to a decrease of MDM2 levels3. In this communication, we report the structure-based computational optimization of this chemical family for the development of novel p53-MDM2/X interactions inhibitors. Our studies will shed light on the possible binding mode of spirooxindole derivatives to MDM2 and MDMX and will drive the hit-to-lead optimization strategy. Furthermore, we report our most recent optimization of the synthesis of these new spiropyrazoline oxindoles derivatives and the first preliminary biological results. Acknowledgements: This work was supported by National Funds (FCT/MEC, Fundação para a Ciência e Tecnologia and Ministério da Educação e Ciência) through UID/DTP/04138/2019 (iMed.ULisboa), project PTDC/QUI-QOR/29664/2017, Principal Investigator grant CEECIND/01772/2017 (M. M. M. Santos) and PhD fellowships SFRH/BD/137544/2018 (E.A. Lopes) and SFRH/BD/117931/2016 (M. Espadinha).
1Ferlay, J., Colombet, M., Soerjomataram, I., Mathers, C., Parkin, D., Piñeros, M., Znaor, A. and Bray, F., Int. J. Cancer, 2019, 144, 1941-1953. 2Espadinha M., Barcherini V., Lopes E. A., Santos M. M. M., Curr. Top. Med. Chem. 2018, 18, 647-660. 3a) Nunes R., Ribeiro C. J. A., Monteiro Â., Rodrigues C. M. P., Amaral J. D., Santos M. M. M., Eur. J. Med. Chem., 2017, 139, 168-179. b) Amaral J. D., Silva D., Rodrigues C. M. P., Solá S., Santos M. M. M., Front. Chem., 2019, 7, article 7 |
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sciforum-027543 | Identification of a synthetic TLR4-agonistic peptide V77-E92 derived from breast-milk αS1‑casein | , , , , , | N/A |
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Breast-milk αS1-casein was suggested as an agonist of the Toll-like receptor 4 (TLR4).1 Pathogen recognition receptor TLR4 responds to lipopolysaccharides and a wide range of molecules, from proteins to metal ions. In consequence, three criteria are required to validate agonists which directly activate TLR4 and exclude TLR4-agonisticity through contaminants.2 Recently, we demonstrated that αS1-casein fulfilled two of these criteria. (i) αS1-Casein required TLR4/MD2 complex as well as cofactor CD14 to induce IL-8 secretion via TLR4 and (ii) αS1-casein bound TLR4, MD2 and CD14.3 Aim of this study was to (iii) identify a synthetic amino acid sequence derived from human αS1-casein responsible for TLR4-agonistic effects. For this, we analyzed the amino acid sequence (AAS) of αS1-casein in silico. αS1‑Casein showed to be α-helical and was likely to be intrinsically disordered in the region corresponding to R16-K99 of αS1-casein. Six truncated variants of αS1-casein coding for parts of the AAS were purified from Escherichia coli. These variants were tested for binding to HEK293 cells transfected with TLR4 (TLR4+) by flow cytometry and their induction of IL-8 secretion via TLR4. Variants of αS1-casein truncated at the N-terminus (E35-W185, R57-W185, V77-W185) bound TLR4+ induced lower IL-8 secretion with less AAS (7.5 ng/ml, 4.8 ng/ml, 3.6 ng/ml). Variant corresponding to E93-W185 of αS1-casein was neither binding TLR4+ nor inducing IL-8 secretion. Therefore, we postulated V77-E92 derived from αS1-casein as TLR4-agonist. This was confirmed by a synthetic peptide V77-E92 derived from αS1-casein, which induced an IL-8 secretion of 0.95 ng/ml. Hence, the third criteria of TLR4-agonists fulfilled and activation of TLR4 through contamination was excluded. In conclusion, αS1-casein was proofed as an agonist directly activating TLR4. This supported our postulate that αS1-casein has at least two functions, a nutritional and an immune active one.
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sciforum-027808 | Targeting neuroblastoma with a new inhibitor of the TAp73 interaction with MDM2 and mutant p53 | , , , , , , , , , , , , , , , , | N/A |
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TAp73 is a key tumour suppressor protein, regulating the transcription of unique and shared p53 target genes with crucial roles in tumorigenesis and therapeutic response. As such, in tumours with impaired p53 signalling, like neuroblastoma (NBL), TAp73 activation represents an encouraging strategy, alternative to p53 activation, to suppress tumour growth and chemoresistance [1]. Actually, NBL represents one of the most common childhood solid cancers but despite the available treatments, the high-risk patients are still characterized by low survival rates, making the search of new therapeutic options an urgent need [2]. In this work, we report the synthesis and biological evaluation of a new TAp73-activating agent, the 1-carbaldehyde-3,4-dimethoxyxanthone (LEM2), as a potent antitumour agent either alone or in combination with conventional drugs [3]. LEM2 anticancer activity was evaluated in the wild-type p53 expressing human colon adenocarcinoma HCT116 cells (HCT116 p53+/+) and in the respective p53-null isogenic derivative cells (HCT116 p53-/-), by sulforhodamine B assay. Results showed that LEM2 had potent p53-independent tumour growth inhibitory effect, with similar IC50values in p53+/+(0.98 ± 0.12 μM) and p53−/−(0.68 ± 0.08 μM) HCT116 cells. The antiproliferative effect of LEM2 on the growth of human tumour cells expressing distinct mutant p53 forms was also investigated, with IC50values around 1–3 μM. LEM2 antitumor effect was associated with enhanced TAp73 transcriptional activity, cell cycle arrest, and apoptosis in p53-null and mutant p53-expressing tumour cells. Importantly, the LEM2 antiproliferative effect was not associated with genotoxicity. Mechanistically, LEM2 was able to disrupt the TAp73 interaction with MDM2 and mutant p53, both in yeast and in human tumour cells. Additionally, by cellular thermal shift assay (CETSA), it was verified that LEM2 induced thermal stabilization of TAp73α but not of MDM2 or mutant p53, suggesting the potential interaction of LEM2 with TAp73α. LEM2 also displayed potent antitumour activity against immortalized and patient-derived NBL cells [4,5], consistent with an activation of the TAp73 pathway. LEM2 alcohol and carboxylic acid derivativeswere also tested to support that the LEM2 biological activity was due to the molecule itself and not to its potential derivatives. Indeed, both the alcohol 1-(hydroxymethyl)-3,4-dimethoxy-9H-xanthen-9-one (LEMred) and the carboxylic acid 3,4-dimethoxy-9-oxo-9H-xanthene-1-carboxylic acid (LEMox) presented a much lower activity when compared to LEM2 and were unable to inhibit the TAp73-MDM2 interaction. The antiproliferative effect of LEM2, alone and in combination with doxorubicin and cisplatin, was analysed by MTT assay and the synergistic effect was evaluated through determination of combination and dose reduction index values. The results showed a potent TAp73-dependent cytotoxic activity of LEM2, superior to that of nutlin-3a (a known TAp73 activator), associated with induction of cell cycle arrest and apoptosis and upregulation of TAp73 target genes, in NBL cells. Also, we observed a pronounced synergistic effect between doxorubicin/cisplatin and LEM2, which may result from enhancing TAp73 activation through alternative pathways. In conclusion, besides its relevant contribution to the advance of TAp73 pharmacology, LEM2 may pave the way to improved therapeutic alternatives against NBL, both alone and in combination with conventional chemotherapeutics.
1 – Wolter J et al. Future Oncol., 2010; 6: 429-444; 2- Nakagawara A et al. Jpn. J. Clin. Oncol., 2018; 48:214-24; 3 – Gomes S et al. Cancer letters., 2019; 0304-3835; 4 - Veselska R et al.Cancer, 2006 6: 32; 5 - Veselska R et al. BMC Cancer, 2008; 8: 300
This work received financial support from PT national funds (FCT/MCTES, Fundação para a Ciência e Tecnologia and Ministério da Ciência, Tecnologia e Ensino Superior) through grant UID/QUI/50006/2019. This work received financial support from the European Union (FEDER funds through the Operational Competitiveness Program (COMPETE) POCI-01-0145-FEDER-006684/POCI-01-0145-FEDER-007440 and (3599-PPCDT) PTDC/DTP-FTO/1981/2014 – POCI-01-0145-FEDER-016581) and the FCT grants PTDC/QUIQOR/29664/2017, POCI-01-0145-FEDER-028736 (PTDC/SAU-PUB/28736/2017). We thank FCT and ESF (European Social Fund) through POCH (Programa Operacional Capital Humano) for: L. Raimundo PhD grant ref. SFRH/BD/117949/2016; J. Loureiro PhD grant ref SFRH/BD/128673/2017; H. Ramos PhD grant ref SFRH/BD/119144/2016. J. Calheiro thanks ICETA for her grant ref. ICETA2019-71. M. Monteiro thanks ICETA for her grant ref. ICETA2019-70 We thank (POCH), specifically the BiotechHealth Programme (Doctoral Programme on Cellular and Molecular Biotechnology Applied to Health Sciences; PD/00016/2012). |
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sciforum-026688 | Screening for PKS-I gene cluster from endophytic actinomycetes residing in Ocmium tenuiflorum (Tulsi) and Azadirachta indica (Neem) | , , , | N/A |
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Polyketide synthases type I (PKS-I) gene cluster is responsible for the synthesis of highly assorted group of secondary metabolites such as antimicrobial and anticancer agents. In our study, screening was carried out using degenerate primers to determine the presence of PKS-I gene cluster in endophytic actinomycetes isolated from two medicinal plants Ocmium teniflorum (Tulsi) and Azadirachta indica (Neem). A total of 28 endophytes that were isolated and identified from our previous study were further confirmed through 16S rRNA gene sequencing to exhibit a 99% similarity with Streptomyces sp. The molecular screening using PCR revealed the presence of PKS- I gene with a product size of 750bps in the isolates, FHK-1, FHK-2, FHK-3, FHK-4, FHK-5, FHK-6, FHK-7, FHK-8, FHK-9, FHK-11, FHK-13, FHK-16, FHK-18, FHK-20, FHK-21, FHK-23, FHK,25 and FHK-28. These isolates were further checked for their antimicrobial potential using their crude extracts. They displayed prominent bioactivity against ATCC pathogens, Escherichia coli, Proteus vulgaris, Rhodococcus equi, Staphylococcus epidermidis, Enterococcus faecalis, and Acinetobacter baumanii. Our study revealed that the endophytes from O. tenuiflorum and A. indica are bioactive and versatile harboring the PKS-I gene cluster. |
List of Authors (453)
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The following organization is recommended for your presentation:
- Length of the presentation: no more than 30 slides
- Slide 1 (strictly one slide): Title, Authors’ names, Affiliation(s), email address of the corresponding Author, and, not mandatory, logos of the laboratory and/or institution;
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Authors can also submit their work under the form of a poster by using the template provided by the Conference. Notice that posters will not be evaluated for the travel award.
Event Awards
Pharmaceuticals and the Organizing Committee of ECMC-5 gladly announce the winners of the ECMC-5 Best Presentation Award, Keynote Speaker Award, and Best Poster Award in 2019.
Best Presentation Award - " Novel radiolabeled silicon rhodamine dyes for bimodal scintigraphic and optical imaging " (Authors: Thines Kanagasundaram *, Carsten Sven Kramer, Eszter Boros, Klaus Kopka)
"Thines Kanagasundaram studied chemistry at the Ruprecht-Karls University in Heidelberg, Germany and received his Master’s degree in 2017. Currently he is a second year Ph.D. student in the German Cancer Research Center (Research Field: Radiopharmaceutical Chemistry, supervisor: Prof. Klaus Kopka) in Heidelberg. His doctoral thesis is focused on the synthesis of novel radiolabeled organic fluorophores for bimodal scintigraphic- and optical imaging which are of clinical interest for precise fluorescence-guided resection of tumors and their lymph node metastases."
Keynote Speaker Award - " Design, synthesis and in vitro biological evaluation of acrylamide derivatives against Chikungunya virus " (Authors: Edeildo Ferreira da Silva-Júnior *, Gabriel Felipe Silva Passos, Matheus Gabriel Moura Gomes, Thiago Mendonça de Aquino, Stephannie Janaina Maia de Souza, João Pedro Monteiro Cavalcante, Elane Conceição dos Santos, Ênio José Bassi, João Xavier de Araújo-Júnior)
" Edeildo Ferreira da Silva-Júnior studied Pharmacy at the Federal University of Alagoas, Maceió – Brazil. Subsequently, he received his Master’s degree in Pharmaceutical Sciences by the Federal University of Alagoas, Brazil, as well. Since his Master degree, he is working in the medicinal chemistry of Neglected Tropical Diseases (NTD’s), collecting valuable experiences on the researches addressed to the development of novel synthetic compounds with activity against Leishmania spp. and Trypanosoma cruzi, in association with collaborators from the University of Strasbourg – France. He has Ph.D. degree in Chemistry and Biotechnology, with focus on the Medicinal and Biological Chemistry, obtained at the Federal University of Alagoas. During his Ph.D., he developed part of his project and thesis at the Institute of Pharmacy and Biochemistry from the Johannes Gutenberg University of Mainz, Germany. Current, he is Professor at the Chemistry and Biotechnology Institute from the Federal University of Alagoas, where he acts as Project-Leader and Laboratory-Head. Furthermore, he develops projects involving collaborators from the Johannes Gutenberg University of Mainz and Würtzburg University (Germany). He has several patents and high-qualified publications in organic and medicinal chemistry fields, such as Bioorganic Chemistry, Molecules, Current Topics in Medicinal Chemistry, Biosensors & Bioelectronics, Bioorganic & Medicinal Chemistry, Current Drug Metabolism, Biomedicine & Pharmacotherapy, and others. "
Best Poster Award - " Biological evaluation of Cetrarioid clade as cholinesterase inhibitors" (Authors: Noelia Fraga Matías, Isabel Maria Ureña Vacas, Elena González-Burgos *, M. Pilar Gómez-Serranillos)
" Noelia Fraga Matías is a collaboration scholarship student, Isabel Ureña Vacas is a second-year PhD student, Dr. Elena González Burgos is Assistant Professor and Dr. M. Pilar Gómez-Serranillos is Professor and Director of the research group. They belong to the Research Group Pharmacology of Natural Products of the Department of Pharmacology, Pharmacognosy and Botany of the Faculty of Pharmacy of the University Complutense of Madrid (Spain). Our consolidated research group has a long history studying phytochemical constituents and pharmacological activities of natural products. Particularly, one of our research lines, is to evaluate the neuroprotective activity of natural products from medicinal plants and lichens, deepening our understanding of its mechanisms of action. In parallel, we evaluate the ability of these natural compounds to cross the blood-brain barrier."
The Awards
This year, as a sponsor, Pharmaceuticals would like to award the best presentation as elected by the members of the scientific committee. The Award will consist of 500 Swiss Francs. We look forward to posting your contributions.
This year, as a sponsor, Pharmaceuticals would like to award the best Keynote Speaker as elected by the members of the scientific committee. The Award will consist of 300 Swiss Francs. We look forward to your contributions.
This year, as a sponsor, Pharmaceuticals would like to award the best poster as elected by the members of the scientific committee. The Award will consist of 200 Swiss Francs. We look forward to your contributions.
Terms and Conditions:
Criteria
1. Full PPT presentation must be submitted to ECMC-5.
2. The quality of the presentation.
3. The scientific content of the presentation
Evaluation
1. Each Evaluation Committee member will give an assessment for each applicant in terms of the criteria outlined above.
2. Total score for each presentation will be ranked, from highest to lowest.
3. If two or more students get the same score, further evaluation will be carried out.
4. All decisions made by the Evaluation Committee are final.
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A leading Belgian company distributing laboratory instruments and furniture.
As a distributor of laboratory instruments and lab furniture, Analis is primarily oriented towards research activities, biotechnology applications, chemistry, clinical chemistry and medical in vitro diagnostics and quality control.
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Thanks to acquisitions, distribution activities and constant innovation, our company has grown and integrated new technologies. Analis covers all aspects of laboratory management: from laboratory project design to complete maintenance of customer’s installed equipment. We structured our organization in order to guide each (research) laboratory with the necessary expertise, application support, technologies and solutions in the following fields: Life Sciences;- In Vitro Diagnostics; Laboratory Equipment; Analytical Chemistry; Materials Testing; Metrology; Laboratory Furniture by ARDESTA.
Our priority is to offer a high level of application and service support. Furthermore, by offering a full range of flexible automation systems, we help each laboratory to increase its lab productivity.
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Analis also runs a research laboratory, ‘Analis R&D Diag’, that develops electrophoresis and CE in vitro diagnostic kits (CEOfix™). ANALIS R&D Diag is focused on analytical method development through the use of capillary
We make scientific instruments that help you to characterize materials from polymers to biological tissue, from metals to composites, our instruments are used for research by the world's most advanced scientific organisations and companies.
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We work very closely with the scientist, creating sketches, designs and prototypes which are continually refined until the scientist is satisfied.Simulations Plus, Inc. (NASDAQ: SLP) is the premier developer of modeling & simulation solutions supporting drug discovery and development research and regulatory submissions. We partner with clients to provide a ‘strategic modeling methodology’, starting in early discovery, continuing through preclinical/clinical development, and concluding with clinical trials/post approval.
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We develop iScienceSearch the Internet search engine for chemists, draw your structure, do a SubStructureSearch, or search by any synonym or identifier. We also offer programming services.
Cloud Pharmaceuticals is a leader in the burgeoning field of Artificial Intelligence based drug discovery. The company partners, designs, develops, and licenses novel drug compounds for a wide range of medical indications to the pharmaceutical, biotechnology and medical research markets.
Hielscher Ultrasonics GmbH: High-power ultrasonic processors for liquid processing
Hielscher Ultrasonics specializes in the design, development and production of ultrasonic devices - both for use in laboratories as well as for industrial applications. Due to the outstanding power of the ultrasonic processors and the high quality standards, Hielscher became the world's leading supplier of high performance ultrasonic equipment. The product range of Hielscher Ultrasonics includes ultrasonic devices to / for
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LATOXAN is the leading producer of venoms from snakes, scorpions and batrachians with over 300 different venoms worldwide available. LATOXAN also produces and supplies venom toxins, plant, plant small molecules and screening libraries. LATOXAN supplies Pharmaceutical Industry, Academic and Pharma Research centres and worldwide distributors of Life Science Reagents.
Human at the center of our culture & dreams.
The International Natural Product Sciences Taskforce (INPST) represents an open innovation platform bringing together scientists and key opinion leaders of the natural product scientific research field, as well as members of multiple scientific excellence centers and pharmaceutical-, biotech-, healthtech-, and natural product-related industries.
Reaction Biology Corporation is an industry leader and innovator specializing in assay services for early-stage drug discovery. Founded in 2001, Reaction Biology offers a wide range of services, including robust assay technologies for kinase and epigenetic biochemical and cell-based high throughput screening (HTS) and selectivity compound profiling. We also offer relevant HTS assay reagents, including highly purified and characterized epigenetic proteins. On average, several million HTS and profiling reactions are performed per year. Over 750 companies worldwide, including pharmaceutical, biotech, academic, and nonprofit laboratories, utilize our biochemical and cellular assay services and purchase epigenetic proteins.
- Consultancy on microwave research & process development with applications to chemical synthesis, cosmetics, nutraceuticals, biomass extraction, plasma, food, drying, etc.;
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MDPI (Multidisciplinary Digital Publishing Institute) is an academic open-access publisher with headquarters in Basel, Switzerland. Additional offices are located in Beijing and Wuhan (China), Barcelona (Spain) as well as in Belgrade (Serbia).
Read more...MDPI publishes 179 diverse peer-reviewed, scientific, open access, electronic journals, including Molecules (launched in 1996; Impact Factor 2.861), the International Journal of Molecular Sciences (launched in 2000; Impact Factor 3.226), Sensors (launched in 2001; Impact Factor 2.677), Marine Drugs (launched in 2003; Impact Factor 3.503), Energies (launched in 2008; Impact Factor 2.262), the International Journal of Environmental Research and Public Health (launched in 2004; Impact Factor 2.101), Viruses (launched in 2009; Impact Factor 3.465), Remote Sensing (launched in 2009; Impact Factor 3.244), Toxins (launched in 2009; Impact Factor 3.030), Nutrients (launched in 2009; Impact Factor 3.550), and Pharmaceuticals (CiteScore 4.9). Our publishing activities are supported by more than 15,700 active scientists and academic editors on our journals' international editorial boards, including several Nobelists. More than 263,500 individual authors have already published with MDPI. MDPI.com receives more than 8.4 million monthly webpage views.
Pharmaceuticals (ISSN 1424-8247; CODEN: PHARH2) is an open access journal of medicinal chemistry and related drug sciences, published quarterly online by MDPI. Citations are available in PubMed, full-text archived in PubMed Central. Following Scopus, the 3-year *CiteScore* of Pharmaceuticals is 4.9 in 2016. Pharmaceuticals is now ranked #8/168 in the category "Pharmaceuticals Science".
Euriso-top Founded in January 1991 by a group of researchers from the Commissariat à l'Energie Atomique (CEA), Euriso-Top became a leading producer of deuterated solvents and stable isotope labelled compounds in Europe, thanks to an incomparable knowledge.
Read more...With a large catalog of thousands of chemical compounds covering various fields of application (Proteomics and Genomic research, Biotechnology discovery, Organic synthesis, Pharmaceutical development, Manufacturing industry), Euriso-top, has been supplying for 25 years the scientific community with stable isotope labeled chemicals, isotopic gases, NMR solvents, isotopic metals, Clinical trials substrates.
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