Basic Training on Structure Based Drug Design, 11-13 July, 2021

Important Note
 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.

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 execution 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 & execution. 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.

Your registration fee will cover-

  • 3 days long physical hands-on training.
  • 15+ software installation on your laptop.
  • A unique identifier (ID) for the trainees. We keep and publish all trainee lists on our website (https://mmddl-ctgbcsir.gov.bd/), which you may access using this ID and use as proof of attendance in this training.
  • After the training, a printed copy of the certificate will be issued, and an online copy will be published on our website, which may be accessed & downloaded at any time by trainee ID.
  • Lunch, as well as tea and snack, will be provided.

PC Requirements, OS: Windows 7-10, Processor: 64-bit (x64 based) i3 – later. Please bring your mouse and laptop charger along with you.

Notice: We have already received a large number of applications, and after examining them, an acceptance email will be delivered on June 28th.