23/06/2021
Contents we will cover in this training (11-13 July 2021).
1. Basic concept: Lecture on the Basic concept of Computer-Aided Drug Design and discovery. Concept of traditional vs rational drug design.
2. Virtual Ligand Preparation: Chemical structure drawing by ChemDraw 16.0 software, structure & structure related data mining from ChemDraw & different database.
3. Ligand Optimization: Lecture on Quantum Mechanics in Drug Design, DFT Theory, HF theory, Basis Set. Ligand optimization by Gaussian software and optimized data analysis.
4. Ligand drug ability prediction: Molecular properties analysis, ADME analysis, drug likeliness test, toxicity and target prediction by different webserver and tools. Library building for virtual screening.
5. Homology Modeling: Introduction on different protein database i.e., Uniprot & PDB. Homology modelling ex*****on by Easy modeller 4.0 and online webserver. Model refinement, validation, and analysis.
6. Protein selection & preparation: Introduction to Protein, different Structures of Proteins, DNA & RNA. Discussion on target protein selection based on a disease. Protein selection for molecular docking, cleaning, and optimization & energy minimization by different tools.
7. Molecular docking: Basic concept of molecular docking, types of docking, different renowned paid & free tools for molecular docking. Ligand preparation, protein preparation, grid generation & ex*****on. Non-bond interaction analysis to know active amino acids & their bond distance.
8. Molecular dynamic simulation: Introduction to MD simulation & different software used for MD simulation. Discussion on different features of MD simulation.
9. Manuscript preparation: Discussion on manuscript preparation i.e., Types of articles, Skeleton building, tips for writing different section of article, figure & table preparation. Discussion on manuscript submission & revision I.e., Journal selection, pre-submission checklist, cover letter, graphical abstract preparation & rebuttal letter preparation.
10. Closing session: Discussion on research facility at BCSIR Laboratories Chattogram and student applying procedure. Discussion on higher study preparation.
Basic Training on Structure-Based Drug Design (11-13 July 2021).
Only 15 trainees will be allowed, and those who are interested in participating in a post-training project will be given priority.
Fill out the Google form (https://cutt.ly/Cn8AlNQ) and let us know you are interested.
We will look over your Google form and call or email you to let you know if you have been accepted (with a payment method).
Finally, after receiving confirmation, pay the registration fee of 3600Tk.