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Scientific Program

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T H U R S D AY, F E B R U A RY 25, 202111:30-12:00 Official Opening of the Hellenic Symposium on Medicinal ChemistrySession 1. At the boundary between medicinal chemistry and chemical biology Chair: Prof. Mikros Emmanuel

12:00-12:30Prof. Galons HervéThe expending world of kinase inhibitorsUniversity of Paris (Paris Descartes University)

12:30-13:00

Prof. Anderluh MarkoPotent DNA gyrase inhibitors bind to their target through symmetrical bifurcated halogen bondingUniversity of Ljubljana

13:00-13:20

Prof. Montalbano AlessandraDiscovery of Pyrrolo[1,2]Oxazoles As Potent Tubulin Polymerization InhibitorsDepartment of Biological, Chemical and Pharmaceutical Sciences and Technologies, Uni-versity of Palermo, Italy

13:20-13:40Prof. Tzakos G AndreasTailoring bioactive compounds and drugs to target the tumor siteDepartment of Chemistry, University of Ioannina

13:40-13:50

Dr. Pliatsika DimanthiDesign, Synthesis, Biophysical Characterization and Biological Evaluation of De-Novo Cereblon (CRBN) EffectorsFaculty of Chemistry and Mineralogy, Institute for Organic Chemistry, University of Leipzig,

13:50-14:30 Break

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Session 2. Novel targeted approaches for well described pathologiesChair: Prof. Nikolaou Ioannis

14:30-15:00

Prof. Βoumpas DimitriosTargets of therapy and targeted therapy in systemic autoimmunity: Κey concepts and lessons learned from systemic lupus erythematosusSchool of Medicine National Kapodistrian University of Athens

15:00-15:30Prof. Hadjipavlou-Litina DimitraHybrids and Multitarget agents: A way to confront multifactorial diseasesSchool of Pharmacy, Aristotle University of Thessaloniki,

15:30-15:50Prof. Rassias GerasimosCell active, multimodal inhibitors of the Dengue proteaseDepartment of Chemistry, University of Patras

15:50-16:10

Prof. Athanassopoulos ConstantinosSynthesis οf Novel G Factor- οr Chloroquine-Artemisinin Hybrids and Conjugates with Polyamines with Potent Antiplasmodial ActivityDepartment Chemistry University of Patras

16:10-16:20Mourot Laura Optimization of a novel fast acting transmission blocking antimalarial agentLaboratoire d’Innovation Moléculaire et Applications, UMR 7042, UHA-Unistra-CNRS

16:20-16:30

Chazapi EvanthiaDesign αnd Synthesis of Novel Mosquito Repellents Through the Application of Dynamic Combinatorial ChemistryInstitute of Chemical Biology, National Hellenic Research Foundation

16:30-16:45 Break

T H U R S D AY, F E B R U A RY 25, 2021

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Session 3. Structure and simulations as catalysts for accelerated drug discoveryChair: Prof. Fousteris Manolis

16:45-17:15Prof. Brancale AndreaThe discovery of bcl3 inhibitors as antimetastatic agentsCardiff University

17:15-17:35

Prof. Spyroulias A. GeorgiosNMR Structural biology of SARS-CoV-2 nsP3 proteins; new targets for viral replica-tion inhibitionDepartment of Pharmacy, University of Patras

17:35-17:45

Dr. Brotzakis Zacharias FaidonSimultaneous determination of the structure and dynamics of drug targeting pro-teins by using CryoEM data and molecular simulations: The cases of the tau-micro-tubule complex for Alzheimer disease and SARS-CoV-2 spike protein for Covid-19 pandemic.Department of Chemistry, University of Cambridge,

17:45-17:55

Dr. Alexandris NikolaosNicotinic Cholinergic System And Covid-19: An In Silico Therapeutic Approach Em-ploying Nicotinic Receptor Agonists Laboratory of Molecular Biology and Immunology, Department of Pharmacy, University of Patras

17:55-18:05

Dr. Romeo IsabellaAn In Silico Repurposing Approach For Uncovering Anti-Sars-Cov-2 Approved Drugs With A Potential Multi-Targeting ProfileNet4Science Academic Spin-Off, Università “Magna Græcia” di Catanzaro

18:05-18:25Prof. Alexopoulos LeonidasNetwork-Based compound assessmentNational Technical University of Athens

18:25-18:55

Dr. Afantitis AndreasEnalos Chem/Nano informatics Tools & Isalos Analytics Platform for Drug Discovery and Materials DesignNovaMechanics Ltd, Nicosia, Cyprus

19:00-21:00 Poster

T H U R S D AY, F E B R U A RY 25, 2021

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F R I D AY, F E B R U A R Y 2 6 , 2 0 2 1Session 4. A medicinal chemist glimpse in the arsenal of natureChair: Prof. Zoidis Gregory

9:00-9:30Prof. Vassilikogiannakis GeorgiosSynthesis with visible light is where the future lies Department of Chemistry, University of Crete

9:30-10:00

Dr. Pitsinos Emmanuel N.Natural product-driven Chemistry at the Interface with BiologyNat. Products Synthesis & Bioorganic Chemistry Laboratory, Institute of Nanoscience & Nanotechnology, National Centre for Scientific Research “Demokritos”

10:00-10:10

Dr. Sagnou MarinaNovel Pyrazoline-Bearing Curcuminoid Derivatives:Synthesis and Evaluation of Their Potential Anticancer Activity Institute of Biosciences & Applications, National Center for Scientific Research “Demokritos”

10:10-10:20

Azzurra StefanucciPlant-Derived Peptides Rubiscolin-6, Soymorphin-6 and their C-Terminal Amide De-rivatives: Pharmacokinetic Properties and Biological ActivityDipartimento di Farmacia, Universita di Chieti-Pescara “G. d’Annunzio”,

10:20-10:30

Dr. Savych AlonaInfluence of The Sample 1 of The Herbal Mixture on Protein Metabolism In Dexa-methasone-Induced Insulin Resistant RatsDepartment of Pharmacognosy with Medical Botany, I. Ya. Horbachevsky Ternopil National Medical University, Ukraine

10:30-10:40

Sarikaki GeorgiaOlive Tree: A Promising Source of Health Promoting Biomolecules andan Inspiration for The Semi-Synthetic Design Of AnalogsDivision of Pharmacognosy and Natural Products Chemistry, Department of Pharmacy, National and Kapodistrian University of Athens

10:40-11:00Prof. Lamari Foteini Volatiles, phenolics and terpenes of Sideritis taxa from the PeloponneseDepartment of Pharmacy University of Patras

11:00-11:15 Break

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Session 5. Novel targeted approaches for well described pathologies IIChair: Prof. Papanastasiou Ioannis

11:15-11:45

Prof. Sbardella GianlucaSympathy for the methyl: a library-on-library screening approach to identify small-molecule ligands of methyl-lysine reader proteins Department of Pharmacy, Epigenetic Med Chem Lab, University of Salerno

11:45-12:15

Prof. Kokotos GeorgeSaturated Hydroxy Fatty Acids: A Previously Unrecognized Class of Natural Fatty Acids Exhibiting Cell Growth Inhibitory Activity and Suppressing Β-Cell ApoptosisDepartment of Chemistry National and Kapodistrian University of Athens

12:15-12:25

Shtriker EfratDevelopment of AAT peptidomimetics as potential drug candidates for the treatment of inflammatory and auto-immune diseasesDepartment of Chemistry, Bar-Ilan University

12:25-12:35

Latorrata AlessiaNeurotrophic, Neuroprotective and Anti-Inflammatory Activity of New Synthetic Dhea 17-Spiro-Cyclopropyl DerivativesInstitute of Chemical Biology, National Hellenic Research Foundation

12:35-12:45

Koutsopoulos KonstantinosDesign synthesis and evaluation of novel aldose reductase inhibitors: The case of indolyl – sulfonyl – phenolsCentral Cytotoxic Preparation Unit, Department of Pharmacy, 251 Hellenic General Air Force Hospital

12:45-12:55Dr. Papagiouvannis GeorgiosPluripotent Compounds With Potential Neurodegeneration Inhibitory ActivityDepartment of Pharmacy, School of Health Sciences, Frederick University, Nicosia

12:55-13:15

Dr. Susana TomasioData Management Solutions for Collaborative Drug Discovery Connecting Re-searchers GloballySenior ScientistSatellite Presentation

13:15-14:00 Break

F R I D AY, F E B R U A R Y 2 6 , 2 0 2 1

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ORAL PRESENTATIONSChair: Prof. Dotsikas Ioannis

14:00-14:10Tsiailanis Antonios D. Alkaline Phosphatase Inhibition to Combat Prostate CancerLaboratory of Organic Chemistry and Biochemistry, Dpt of Chemistry, University of Ioannina

14:10-14:20

Κarelou MariaDesign, Synthesis and Pharmacological Evaluation of Novel TDP1 AND/OR 2 Inhibi-torsDivision of Pharmaceutical Chemistry, Department of Pharmacy, National and Kapodistrian University of Athens

14:20-14:30

Dr. Fantel Anna-MariaDiscovery And Functional Characterization of Substituted Pyrazolo[3,4-C]Pyridines As Selective Inhibitors of Cystathionine Beta-SynthaseDepartment of Pharmacy, National and Kapodistrian University of Athens

14:30-14:40

Amanatidou DionysiaNovel Dpp4 Inhibitors with Combined Dpp4-Ptp1b Inhibition and Uncommon Mode of ActionDepartment of Biomedical Sciences, School of Health Sciences, International Hellenic University

14:40-14:50

Fotis Christos DEEPSIBA: Chemical Structure-Based Inference of Biological Alterations Using Deep LearningBiomedical systems laboratory, National Technical University of Athens

14:50-15:00 Break

F R I D AY, F E B R U A R Y 2 6 , 2 0 2 1

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Session 6. The virtual toolkit of medicinal chemistryChair: Prof. Tsantili Anna

15:00-15:30Dr. Valko KlaraApplication of biomimetic measurements and models in drug discoverySchool of Pharmacy, University College London

15:30-15:40

Dr. Rocca RobertaIdentification of selective ligands for TERRA G-quadruplex by means of in silico techniquesNet4Science Academic Spin-Off, Università “Magna Græcia” di Catanzaro

15:40-15:50

Hok LucijaA computational insight into the effect of deuteration on the H2 receptor histamine binding profileDivision of Organic Chemistry and Biochemistry, Ruđer Bošković Institute, Zagreb

15:50-16:00Dr. Kotsampasakou EleniModelling Off-Target Pharmacology To Reduce Toxicity For Drug DiscoveryGlaxoSmithKline

16:00-16:30

Dr. Jas Bachoo - Dr. Antonija KuzmanicLigand Designer and a Real-World Case Study an Automated Expert Solution for Chemists to Easily Design and Evaluate IdeasSchrödinger GmbHSatellite lecture by

16:30-17:00 Break

F R I D AY, F E B R U A R Y 2 6 , 2 0 2 1

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Session 7. Trends and advances in bioinorganicsChair: Prof. Myrianthopoulos Vasilios

17:00-17:30

Prof. Hadjikakou SotirisConjugates of Non Steroidal Anti-inflammatory Drugs or Antibiotics, with Metal Ions (CoMeD’s) towards the discovery and development of new therapeutic agentsDepartment of Chemistry, University of Ioannina

17:30-18:00

Dr. Chiotellis ArisMolecular Imaging with 18F-PETInstitute of Nuclear & Radiological Sciences & Technology, Energy & Safety, National Cen-ter for Scientific Research ‘’Demokritos’’

18:00-18:10Dr. Liolios ChristosChemical biology for heterodimeric ligands, examples for theranostic applications German Cancer Research Center (DKFZ),

18:10-18:20

Kostoudi StavroulaSynthesis and Biological Evaluation of Thiosemicarbazone Complexes of Cu(II), [Re(-CO)3] and the Radionuclide [99mTc(CO)3]School of Pharmacy, Aristotle University of Thessaloniki

18:20-19:30ROUND TABLE Career Paths in Pharmaceutical IndustryDr. Koftis Theocharis (Pharmathen), Dr. Katsara Maria (Novartis), Dr. Kousoulos Constantinos (Qualimetrix), Dr. Leftheris Katerina (Pliant Therapeutics)

19:30-19:45 Break

19:45-21:00 Poster Session

F R I D AY, F E B R U A R Y 2 6 , 2 0 2 1

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S AT U R D AY F E B R U A R Y 2 7 , 2 0 2 1Session 8. Nanotechnology and biophysics enabling development of novel therapeuticsChair: Prof. Dotsikas Ioannis

9:00-9:30Prof. Mavromoustakos ThomasEfforts to discover novel AT1 antagonists and drug delivery systemsDepartment of Chemistry National and Kapodistrian University of Athens

9:30-9:50

Prof. Detsi AnastasiaImplementation of Green Chemistry tools and Nanotechnological approaches towards the development of new materials for medicinal applications.National Technical University of Athens

9:50-10:00

Dr. Pippa NatassaDesign and Development of Carbon Nanohorn/Liposome delivery platformsDivision of Pharmaceutical Technology, Department of Pharmacy, National and Kapodistri-an University of Athens

10:00-10:10

Konstantinidi AthinaBiophysical, Structural and Simulation Studies of Aminoadamantanes in complex with Influenza A M2TM Wild-Type and its MutantsDivision of Pharmaceutical Chemistry, Department of Pharmacy, National and Kapodistrian University of Athens

10:10-10:20

Dr. Drakopoulos Antonios Synthesis Of New Fluorescent Subtype-Selective Opioid Ligands to Investigate Recep-tor Homodimerization Under Physiological Conditions Via Single Molecule Microscopy Pharmaceutical and Medicinal Chemistry, Institute of Pharmacy and Food Chemistry, Julius Maximilian University of Wurzburg

10:20-10:30Bolje AljošaStructural characterization and stability of proteins in solid formsFaculty of Pharmacy, University of Ljubljana

10:30-10:40Kirkilessi OlgaNovel 8-Phenyl Bodipy Fluorophores National Hellenic Research Foundation, Institute of Chemical Biology

10:40-11:10Dr. Koufaki Maria Bioinspired antiageing proteasome activatorsInstitute of Chemical Biology, National Hellenic Research Foundation

11:10-11:30 Break

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Session 9. Pharmaceutical Analysis “Old bariers new leaps. The multifaceted role of pharmaceuti-cal analysis in the new scienceChair: Prof. Gikas Evangelos

11:30-12:00Dr. Hrastelj NinetaAccuracy of analytical resultsSecretary-General at the European Chemical Society

12:00-12:30

Dr. Papanastasiou Dimitris Multiple-Stage Multidimensional Top-Down Analysis of Intact Antibodies in the Omni-trap Platform coupled to Ion Mobility and Orbitrap Mass SpectrometryFasmatech Science & Technology, Athens

12:30-12:40

lliou AikateriniUrine and Serum Metabolome-Wide Association Study of Colorectal Cancer Genetic VariantsDepartment of Pharmacy National Kapodistrian University of Athens

12:40-12:50

Dr. Vallianatou TheodosiaMass Spectrometry: From Metabolomics to Imaging, An Invaluable Tool In Neurosci-enceUppsala University

12:50-13:00

Engin ErElectrochemical sensing of anthracycline antibiotic agents using two-dimensional materials Department of Analytical Chemistry, Faculty of Pharmacy, Ankara University

13:00-13:30

Prof Loukas Ioannis Artificial Intelligence in Precision Oncology. The cases of Breast Cancer, Non Small Cell Lung Cancer and Acute Lymphoblastic Leukemia.Department of Pharmacy National Kapodistrian University of Athens

13:30-14:00

Prof Thomaidis NikolaosTime-trend analysis of use patterns of pharmaceuticals and drugs of abuse in Attica as revealed by wastewater-based-epidemiologyDepartment of Chemistry National Kapodistrian University of Athens

14:00-14:30 Break

S AT U R D AY F E B R U A R Y 2 7 , 2 0 2 1

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ORAL PRESENTATIONS Chair: Myrianthopoulos Vasilios

14:30-14:40

Banti N. Christina Loading of the {SLS@[Zn3(CitH)2]} in pHEMA-hydrogel for the development of non-in-fectious contact lensDepartment of Chemistry, University of Ioannina

14:40-14:50Dr. Mathioudaki EiriniStudy of IcmK, A Protein of The Secretion System Type Iv Of Coxiella BurnetiiDivision of Biochemistry, Department of Chemistry, University of Crete

14:50-15:00

Malis GeorgiosSynthesis, Structure, and Biological Activity of Copper(II) Complexes With Non-Ste-roidal Anti-Inflammatory DrugsLaboratory of Inorganic Chemistry, Department of Chemistry, Aristotle University of Thessa-loniki

15:00-15:10

Makrypidi Konstantina Synthesis And Evaluation of Re And 99mTc Complexes Bearing The 4-Anilinoquinazoline Moiety For Egfr ImagingInstitute of Nuclear & Radiological Sciences and Technology, Energy & Safety

15:10-15:20 POSTER AWARDS15:20-15-30 Break

S AT U R D AY F E B R U A R Y 2 7 , 2 0 2 1

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Session 10. COVID apocalypse. The day after Chair: Dr Calogeropoulou Theodora

15:30-16:00

Prof. Gravanis AchilleasInterplay of biological and computational sciences with chemistry in COVID-19 phar-macologySchool of Medicine, University of Crete

16:00-16:30

Prof. Demetzos Costas Lipidic Nano-Particles (LNP) as RNA delivery vehicles.The example of SARS-CoV-2 vaccine’Department of Pharmacy, National and Kapodistrian University of Athens

16:30-17:00

Dr. Kyratsous Christos Generation, characterization and clinical development of a fully human antibody cocktail against SARS-CoV-2Regeneron Pharmaceuticals

17:00-17:15 Break

17:15-17:45Prof Mei Hong Structures of SARS-CoV-2 and influenza viroporins: A quest to block pandemics Department of Chemistry Massachusetts Institute of Technology

17:45-18:15Prof Jun Wang Rational design of antivirals targeting the SARS-CoV-2 main proteaseDepartment of Pharmacology and Toxicology University of Arizona

18:15-18:45

Robert Hoffman The Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Treatment of COVID-19Pfizer Worldwide Research and Development, La Jolla, California

18:45-19:00 CLOSING OF THE SYMPOSIUM

S AT U R D AY F E B R U A R Y 2 7 , 2 0 2 1