Virtual Training on “Computer Aided Drug Design “

by | Nov 12, 2021 | Events | 0 comments

Drug Design

Greetings from RUSC,
Here’s good news for all the enthusiastic students. And professionals who are interested in Bioinformatics and computational biology. But bioinformatics has become an important part. Though many areas and can help improve drug discovery. So the processes of designing a new drug using bioinformatics. And tools have opened a new area of research for all. So it is an immense pleasure to announce that ‘Rajshahi University Science Club’ is offering a 3-day training. And that is virtual training on ”Computer-Aided Drug Design for beginners” in collaboration with ideSHi.

Drug DesignTraining Program in detail:

🔘 The training will be conducted through online software (zoom. Class link will be provided via e-mail.

🔘 Program Schedule: 9th-11th April 2021 on 3 PM – 6 PM BDT each session. Topics will cover in the training:

✔Day-1 (9th April): Data Mining and Molecular Modelling-Introduction
-Ligand Based Idea/Information, database, retrieval
-Ligand library preparation
-Homology Modeling- Data mining, literature study and acquisition of target structure Databases- NCBI, PDB, RCSB, UNIPROT, Modbase
-Comparative modeling of protein (Homology modeling) *target structure not available
-Server based –PHYRE, RaptorX, SWISSMODEL, I-TASSER etc.
– Protein Structure validation
-Ramachandran plot assessment –RAMPAGE, Pdbsum, Procheck, and Profiles3d

✔Day-2 ( 10th April): Drug Design and Virtual Screening-Debrief
– Protein Energy Minimization, Refinement, Preparation
-Active site Pocket identification -MetaPocket, CastP, etc
– Molecular Docking (Pyrx, Discovery Studio, pymol-)
*Setting grid parameters and Docking parameters
*Docking analysis (based on binding energy, h_bonds, electrostatic interaction, hydrophobic interaction etc) *Protein and ligand interaction – Auto Dock vina
*Protein-protein interaction – Patch dock
*Lead optimization and ADMET analysis

✔Day-3 (11th April):-Paper Reproduction
– Assignment briefing

🔘 Trainers :

➡ Md. Arif Khan
Lecturer, Biotechnology & Genetic Engineering,
University of Development Alternative (UODA)

➡ Shafi Mahmud
Department of Biological Science,
Korean Advanced Institute of Science & Technology and Ulsan University

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