The detailed conference program of the 2nd Molecules Medicinal Chemistry Symposium (MMCS2019) is now available, please see below. Moreover, you can also download the Molecules 2019 Conference Book (last update 10 May 2019).
General Schedule
Wednesday 15 May 2019: 08:00 - 12:45 / 14:30 - 18:30
Thursday 16 May 2019: 08:45 - 13:00 / 14:30 - 16:00 / Conference Dinner: 20:00
Friday 17 May 2019: 08:30 - 12:30 / 14:00 - 18:15
Detailed Program
Day 1: Wednesday 15 May 2019
08:00 Registration Desk Open (Check-in)
08:45 – 09:00 Opening Ceremony – Chairs: Diego Muñoz-Torrero & F. Javier Luque
Session 1. Molecules against Cancer (Part 1)
Chairs: : Diego Muñoz-Torrero & F. Javier Luque
09:00 – 09:30 Stephen Neidle “The Targeting of Quadruplex Nucleic Acids in Human Cancers”
09:30 – 09:45 Seyed A. Tabatabaei Dakhili “FOXM1 Inhibitors: Emergence of a Neglected Binding Force”
09:45 – 10:00 Simona Sestito “Novel Dual PDK1/AurK-A Inhibitors for Cancer Therapy: Med Chem Evolution and Crystallographic Investigation”
10:00 – 10:15 David Barker “Development of Thienopyridines as Potent Antiproliferative Agents”
10:15 – 10:30 Konstantin Volcho “Tdp1 Inhibition as a Promising Approach to New Anticancer Drugs”
10:30 – 11:15 Coffee Break
Session 1. Molecules against Cancer (Part 1)
Chair: Katalin Prokai-Tatrai
11:15 – 11:45 Eva Estébanez-Perpiñá “Translating Androgen Receptor Structure into Precision Medicines”
11:45 – 12:00 Wen-Wu Li “Synthesis and Evaluation of Thymoquinone Analogues as Anti-ovarian Cancer Agents”
12:00 – 12:15 Anna M. Costa “Amphidinolides and Iriomoteolides, Potent Anticancer Macrolides”
12:15 – 12:30 Beata Morak-Młodawsk “Novel Dipyridothiazines with 1,2,3-Triazole Substituents—Synthesis and Anticancer Activities”
12:30 – 12:45 Maria Cristina De Rosa “Discovery of a Selective NEK6 Kinase Inhibitor by Virtual Screening”
12:45 – 14:30 Lunch
13:30 – 14:15 Workshop “Visual Ideation & Decision Assistance for Every Drug Researcher” by BioSolveiT
Session 2. Targeting Protein Degradation in Drug Discovery
Chair: Simona Collina
14:30 – 15:00 Yi Sun “Sag/Rbx2 E3 Ubiquitin Ligase: from Target Validation to Drug Discovery”
15:00 – 15:30 Alessio Ciulli “Targeted Protein Degradation with Small Molecules: How PROTACs Work”
15:30 – 15:45 Carles Galdeano “Expanding the Toolbox of E3 Ligases for Protein Degradation: Targeting the “Undruggable” Fbw7 E3 Ligase”
15:45 – 16:00 Philip Ryan “Design, Synthesis, and Biological Evaluation of Bimodal Glycopeptides as Inhibitors of Neurotoxic Protein Aggregation”
16:00 – 16:15 Imane Bijij “Tracing Potential Covalent Inhibitors of an E3 Ubiquitin Ligase Through Target-focused Modelling”
16:15 – 16:30 Tiantian Xu “Structural-Based Virtual Screening to Identify a Class of Small Molecules that Selectively Inhibits Cul-5 Neddylation”
16:30 – 17:00 Coffee Break
Session 3. New Avenues in Kinetic Target-Guided Synthesis
Chair: Rino Ragno
17:00 – 17:30 Jörg Rademann “How Proteins Catalyze Ligand Formation: Protein-Templated Fragment Ligation Employed in the Validation of Cancer Targets”
17:30 – 18:00 Rebecca Deprez-Poulain “Kinetic Target-Guided Synthesis as a Tool for Drug-Discovery: Successes, Challenges and Applications to Metalloproteases”
18:00 – 18:30 Selected Posters 3-min Flash Presentations: Bosch (Poster No. 43); Gizynska (30); Gladysz (34); Jumde (58); Kaminski (80); Morales (53); Mousavifar (71); Pons (67); Ribić (51); Zhang (65).
Day 2: Thursday 16 May 2019
Session 4. In the Pursuit of Novel Drugs and Molecular Targets (Sponsored by the IBUB – Drug and Target Discovery)
Chair: Marçal Pastor-Anglada
08:45 – 09:15 Xavier Barril “Targeting Novel Allosteric Sites with Confidence: Methods and Applications”
09:15 – 09:30 Katalin Prokai-Tatrai “CNS-selective Estrogen Therapy”
09:30 – 09:45 Yanan Li “Discovery of Small Molecule Inhibitors that Disrupt the Interaction of Neddylation E1 NAE and E2 Ube2F for Cancer Therapy”
09:45 – 10:00 Jessica Holien “Drugging the Undruggable: Inhibiting MYCN Signaling”
10:00 – 10:15 Janna Ehlert “Novel Antimalarial Inhibitors that Specifically Target the Invasion Motor Protein Myosin A in Malaria Parasites”
10:15 – 10:30 Laura Castilla-Vallmanya “Understanding the Pathophysiology and Searching for Biomarkers for Rare Genetic Developmental Diseases”
10:30 – 11:30 Coffee Break
10:30 – 10:40 Conference Group Photograph
Session 4. In the Pursuit of Novel Drugs and Molecular Targets (Sponsored by the IBUB – Drug and Target Discovery)
Chair: Federico Gago Badenas
11:30 – 12:00 Barry Potter “Steroid Sulfatase Inhibition: From Concept to Clinic and Beyond” - Molecules 2018 Tu Youyou Award Winner
12:00 – 12:15 George Kokotos “Inhibitors of Phospholipid-Hydrolyzing Enzymes as Novel Agents against Pulmonary Fibrosis and Diabetes Type-1”
12:15 – 12:30 Yun Shi “How Size Matters: Designing Diverse Fragment Libraries for Novel Drug Discovery”
12:30 – 12:45 Stefan Ilic “Using a Combination of Fragment-Based and Virtual Screening to Discover Inhibitors for DnaG Primase of Mycobacterium tuberculosis”
12:45 – 13:00 Leire Iralde Lorente “Small Molecules as Potential Inhibitors of the 14-3-3/c-Abl Interaction for the Treatment of CML”
13:00 – 14:30 Lunch
13:30 – 14:30 Poster Session A
Session 4. In the Pursuit of Novel Drugs and Molecular Targets (Sponsored by the IBUB – Drug and Target Discovery)
Chair: Barbara Malawska
14:30 – 15:00 Santiago Vázquez “Adamantane Analogs: From Anti-Influenza Drugs to Soluble Epoxide Hydrolase Inhibitors for Acute Pancreatitis”
15:00 – 15:15 Sonsoles Velázquez “4,4-Disubstituted N-benzylpiperidines: A Novel Class of Fusion Inhibitors of Influenza Virus H1N1 Targeting a New Binding Site in Hemagglutinin”
15:15 – 15:30 Lisa Pilkington “Development of Novel, Potent Phosphatidyl–Choline-Specific Phospholipase C Inhibitors”
15:30 – 15:45 Bhautikkumar Patel “Design, Synthesis, and Biological Evaluation of Nucleoside Analogues Acting against Neisseria Gonorrhoeae”
15:45 – 16:00 Ravi Munuganti “Targeting Neuronal Transcription Factor BRN2 in Neuroendocrine Tumors”
17:00 Guided visit to Sant Pau (Bus pick-up at 16:30)
20:00 Conference Dinner
Day 3: Friday 17 May 2019
Session 1. Molecules against Cancer (Part 2)
Chair: Catherine Guillou
08:30 – 09:00 Emília Sousa “Strategies to Discover p53 Activators and a p73 Activator for Neuroblastoma”
09:00 – 09:15 Roman Dembinski “Organometallic Nucleosides: Synthesis and Biological Evaluation of Substituted Dicobalt Hexacarbonyl Alkynyl Modified 2’-Deoxyuridines”
09:15 – 09:30 Concepción Alonso “Synthesis of Heterocyclic Fused [1,5]naphthyridines by Intramolecular HDA Reactions”
09:30 – 09:45 Cristina Maccallini “Inhibitors of the Inducible Nitric Oxide Synthase as Antiglioma Agents”
09:45 – 10:00 Janusz Rak “Why Does the Type of Halogen Atom Matter for Radiosensitizing Properties of 5-substituted 4-thio-2’-deoxyuridines?”
10:00 – 11:00 Coffee Break
Session 1. Molecules against Cancer (Part 2)
Chair: George Kokotos
11:00 – 11:30 Viranga Tillekeratne “In Search of Selectivity: Design, Synthesis and Biological Evaluation of New Classes of HDAC Inhibitors”
11:30 – 11:45 Eduard Mas “Interaction of Epigenetically-Modified Natural Nucleosides with Membrane Transporters as a Clue to Understand their Mechanism of Action”
11:45 – 12:00 Niv Papo “Engineering Affinity, Specificity, and Stability in Protein Therapeutics”
12:00 – 12:15 M. Isabel Matheu “Synthesis of Polyfluorinated KRN7000 Analogues and Biological Implications”
12:15 – 12:30 Claudia Cardozo “Use of a Zebrafish Model to Evaluate Toxicity of Schiff Base Complexes of Copper (II) and Zinc (II) as Possible Antineoplastic Agents”
12:30 – 14:00 Lunch
13:00 – 14:00 Poster Session B
Session 5. Medicinal Chemistry Tales
Chair: Maria-Laura Bolognesi
14:00 – 14:30 Christa Müller “Tools and Drugs for Purine-Binding Targets - Important Players in Inflammation and Cancer”
14:30 – 14:45 Maria João Matos “Facing Novel Challenges in Neurodegenerative Diseases Drug Discovery: From Small Molecules to Targeted Therapies”
14:45 – 15:00 William Donaldson “Potent and Selective Estrogen Receptor-Beta Agonists which Enhance Memory Consolidation in an Ovariectomized Mouse Model”
15:00 – 15:15 Serena Della Volpe “Towards the Modulation of RNA-Binding proteins: New Compounds Targeting Protein HuR”
15:15 – 15:30 Lena Trifonov “Structurally Simple, Readily Available Peptidomimetic 1-Benzyl-5-methyl-4-(n-octylamino)pyrimidin-2(1H)-one Exhibited Efficient Cardioprotection in a Myocardial Ischemia (MI) Mouse Model”
15:30 – 16:30 Coffee Break
Session 5. Medicinal Chemistry Tales
Chair: Rui Moreira
16:30 – 17:00 Mark von Itzstein “A Novel Series of Sialic Acid-Based Influenza Virus Inhibitors that Target Influenza Virus Neuraminidase”
17:00 – 17:15 Marco Catto “Repositioning of Dantrolene as a Multitarget Agent for Neurodegenerative Diseases”
17:15 – 17:30 Megan Meuser “Kinetic Characterization of Novel HIV-1 Entry Inhibitors: Discovery of a Relationship between Off-Rate and Potency”
17:30 – 17:45 Florenci González Adelantado “Design and Synthesis of Cysteine Proteases Inhibitors”
17:45 – 18:00 Teodora Bavaro “Rational Design, Synthesis and Characterization of Glycoconjugates as Potential Vaccines against Tuberculosis”
18:00 – 18:15 Rino Ragno “www.3d-qsar.com: A Portal to Build 3-D QSAR Models”
18:15 – 18:30 Closing Remarks and Awards Ceremony
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