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2.Computer-Aided Drug Design Symposium and Workshop
Linking Design, Biology, Chemistry and Medicine
( 11th & 12th May 2022, Biruni University, Istanbul )


Download the abstract book here

Symposium (Day I)

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 BallesterMachine-learning scoring functions for structure-based virtual screening: where are we?
09:50 - 10:20 Serdar DurdağıFrom "Molecule" to "Drug Candidate": A Sucessfull Example of Drug Repurposing Approach in COVID 19
10:25 - 10:45 Coffee Break
Session 2: Chair: Serdar Durdağı
10:45 - 11:15 Helen SheridanNatural Product Drug Discovery - from plants to clinical trials. The challenges and tools for revealing mechanism of action.
11:20 - 11:50 Mila KrämerEnhancing Drug Discovery Using Modern Machine Learning Methods
11:55-12:25 Atilla AkdemirA hierarchical VS campaign against Kinesin Eg5
12:30 - 13:30 Lunch
Session 3: Chair: Nezih Hekim
13:30 - 14:00 Mustafa DJAMGOZNeonatal ion channel expression in metastatic solid tumours: Multiple targeting strategies
14:05 - 14:35 Junying LiuNetwork pharmacology provides new pharmacological data to ancient therapy
14:40 - 15:10 Can AkçalıCombination of Biology and Computer Science: A Promising Therapeutic Tool For 21st Century Medicine
15:10 – 15:30 Abdulilah EceComputer-Aided Drug Design: methods, applications and challenges
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 ErolUnended 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 SiyahDiscovery of New Malarial Targets and Identification of Potent Anti-Malarial Drugs

Symposium (Day II)

Session 4: Chair: Abdulilah Ece
09:00 – 09:30 Tao ZhangBioactive 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
10:15 - 10:35 Coffee Break
10:35 - 10:45 Prize ceremony for best poster and best selected speaker


Workshop: Computer-Aided Drug Design

1. Schrödinger Workshop

Led by Dr. Mila Krämer and Dr. Abdulilah Ece

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


  • 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

2. Clarivate Analytics Workshop

Led by Dr. Ahmed Bourghida (Clarivate, Life Sciences Solution Consultant) &
Dr. Klementyna Karlinska-Batres (Clarivate, Regional Solution Consultant)

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)

- The Cortellis Suite: Drug Discovery and Clinical Trials
- Metacore: Biology and Early Discovery
- Decision Resources: Research Landscape and Epidemiology
- CMR: Clinical Trials Data Customized

A hands-on workshop with a demo. Complete understanding of how they can help your research.


  • 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
17:30 - 18:00 Discussion & Closing Talks + Certificate of Attendance

    Schrödinger | Dell Technologies | Clarivate Analytics | Analitik Kimya | Redoks Lab | SEM | Logitech |

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