Symposium (Day I)
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| 08:00 - 09:00 Registration and poster setup |
| 09:00 - 09:10 Symposium opening welcome by Professor Adnan Yüksel, Rector |
Session 1: Chair: Helen Sheridan |
| 09:10 - 09:15 Session introduction by Prof Tuncer Değim, Dean of School of Pharmacy |
| 09:15 - 09:45 Pedro Ballester – Machine-learning scoring functions for structure-based virtual screening: where are we? |
| 09:50 - 10:20 Serdar Durdağı –From "Molecule" to "Drug Candidate": A Sucessfull Example of Drug Repurposing Approach in COVID 19 |
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| 10:25 - 10:45 Coffee Break |
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| Session 2: Chair: Serdar Durdağı |
| 10:45 - 11:15 Helen Sheridan – Natural Product Drug Discovery - from plants to clinical trials.
The challenges and tools for revealing mechanism of action.
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| 11:20 - 11:50 Mila Krämer – Enhancing Drug Discovery Using Modern Machine Learning Methods |
| 11:55-12:25 Atilla Akdemir – A hierarchical VS campaign against Kinesin Eg5 |
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| 12:30 - 13:30 Lunch |
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| Session 3: Chair: Nezih Hekim |
| 13:30 - 14:00 Mustafa DJAMGOZ – Neonatal ion channel expression in metastatic solid tumours: Multiple targeting strategies |
| 14:05 - 14:35 Junying Liu – Network pharmacology provides new pharmacological data to ancient therapy |
| 14:40 - 15:10 Can Akçalı – Combination of Biology and Computer Science: A Promising Therapeutic Tool For 21st Century Medicine |
| 15:10 – 15:30 Abdulilah Ece – Computer-Aided Drug Design: methods, applications and challenges |
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| 15:30 - 16:00 Coffee Break + Poster Sessions |
Session 4: Chair: Junying Liu |
| 16:05 - 16:20 Enes Seyfullah Kotil – The atomic details of Griffithsin interaction with SARS-CoV-2’s RBD |
| 16:20 - 16:35 Berna Doğan – Applications of Molecular Modeling Approaches for the Identification of Novel Sars-Cov-2 Rdrp Inhibitors |
| 16:35 - 16:45 Abdullahi Ibrahim Uba – Identification of Potential Antagonists of Crf1r Using Structure-Based Virtual Screening And Molecular Dynamics Simulation |
| 16:45 - 16:55 Nigar Çarşıbaşı – Pharmacophore Model Accompanied by Conformational Dynamics Reveals New Anti-Cancer Drug Candidates |
| 16:55 - 17:05 Efe Doğukan Dincel – Design, Synthesis, Characterization, Molecular Docking Studies and Anticancer Activity Evaluation of Novel Hydrazinecarbothioamide, 1,2,4-Triazole-3-Thione, 4-Thiazolidinone And 1,3,4-Oxadiazole Derivatives |
| 17:05 - 17:15 Mine Isaoglu – Exploring the Potential of Natural Products As Α-Glucosidase Inhibitors Through In Silico Studies |
| 17:15 - 17:25 Ismail Erol – Unended Quest: In the Search of Dimerization Interfaces of AT1R-AT2R Heterodimer |
| 17:25 - 17:35 Mehreen Zaka - Fareed Asaad – In silico and in vitro approaches for the identification of novel anti-cancer therapeutics against malignant glioma from ultra large libraries |
| 17:35 - 17:45 Pınar Siyah – Discovery of New Malarial Targets and Identification of Potent Anti-Malarial Drugs |
Symposium (Day II)
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Session 4: Chair: Abdulilah Ece |
| 09:00 – 09:30 Tao Zhang – Bioactive Indanes: Insight Into The Bioactivity of Indane Dimers Related To The Lead Anti-Inflammatory Molecule Ph46a |
| 09:30 - 09:45 Cemal Köprülüoğlu – Quantum Mechanics-Based Scoring Function For Structure-Based Drug Design |
| 09:45 - 09:55 Esra Nur Çakmak – Investigation of Structure-Activity Relationships with Molecular Docking for Some Antiepileptic Drugs and Voltage-Gated Calcium (Cav) Channels |
| 09:55 - 10:05 Naz Mina Mert – Identification of potent and selective inhibitors against Class IIb histone deacetylase enzymes by utilizing virtual screening techniques of known compound libraries |
| 10:05 - 10:15 Sergen Gül – Oxime Ester-Based Di-Substituted Imidazole Derivatives for Inhibition of Acetylcholinesterase: Discovery and Structure-Activity Relationships |
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| 10:15 - 10:35 Coffee Break |
| 10:35 - 10:45 Prize ceremony for best poster and best selected speaker |
Workshop: Computer-Aided Drug Design
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1. Schrödinger Workshop
Led by Dr. Mila Krämer and Dr. Abdulilah Ece
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| 10:45 - 12:30 – First Session |
| 12:30 - 13:15 – Lunch |
| 13:15 - 14:45 – Second Session |
| 14:45 - 15:00 – Coffee Break |
- Introduction to the Maestro Interface |
| - AutoQSAR |
| - Ligand Designer |
| - Pharmacophore Modeling |
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Benefits:
- Hands-on guided workshop, building competency and confidence in using Schrödinger software.
- Certified attendance for undergraduate, postgraduate and postdoctoral students and for Continued Professional Development
- Understand how Schrödinger software can benefit your research project
- Free access to Schrödinger software for 30 days for registered attendees
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2. Clarivate Analytics Workshop
Led by
Dr. Ahmed Bourghida (Clarivate, Life Sciences Solution Consultant) &
Dr. Klementyna Karlinska-Batres (Clarivate, Regional Solution Consultant)
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| 15:30 - 17:30 – The Drug Discovery Journey from Early Discovery to Clinical Trials |
Led by
Dr. Ahmed Bourghida (RMDM Group, Chief Scientific Officer) &
Dr. Klementyna Karlinska-Batres (Clarivate, Regional Solution Consultant)
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- The Cortellis Suite: Drug Discovery and Clinical Trials |
| - Metacore: Biology and Early Discovery |
| - Decision Resources: Research Landscape and Epidemiology |
| - CMR: Clinical Trials Data Customized |
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A hands-on workshop with a demo. Complete understanding of how they can help your research.
Benefits:
- Hands-on guided workshop, build competency and confidence in using Cortellis Solutions
- Understand how Clarivate’s Cortellis Solution Suite can benefit your research project
- Electronically verifiable attendance certificate for all attendees
- Request free trail-access to select Cortellis products
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| 17:30 - 18:00 Discussion & Closing Talks + Certificate of Attendance |
