7-Days Online FDP/Workshop on Computer Aided Drug Design |Hands-on-Training| |CADD|

• Download complete brochure by clicking here.
• Daily 1.0 Hr session for 7 Days.
• Recordings will be shared after every Live session.

Detailed Day wise Schedule

14 April 2023: Day 1 - Session 1: By Dr. Nikhil Aggarwal, HOD [ACC]

• Introduction to Drug Discovery CADD, Overview of the process of drug discovery
• CADD Software Tools Installation
• Understanding file formats (sdf, mol, pdb)

15 April  2023: Day 2 - Session  2: By Dr. Nikhil Aggarwal, HOD [ACC]

Structure   based Drug Design (target-ligand docking)

• Online Database Exploration(PubMed, PubChem, RCSB-PDB, etc.)
• Introduction to Structure based Drug Design and process layout of Docking
• Comparative modelling of protein (Homology modelling)
• Thermodynamical criteria
• Molecular Docking using Autodock vina/Autodock Tools (For docking of multiple ligands)
• Protein file preparation: removal of side moieties, repairing of polypeptide chains, Docking studies: Protein structure input file preparation: removal of water, polar hydrogens, charge neutralization

16 April  2023: Day 3 - Session 3: By Dr. Nikhil Aggarwal, HOD [ACC]

• Ligand file preparation: polar   hydrogens, charge neutralization, labelling of aromatic carbons and rotationable   bonds
• Setting grid parameters and Docking   parameters: Blind docking vs site-specific docking, saving grid dimensions
• Setting and executing the   calculation.

17 April  2023: Day 4 - Session 4: By Dr. Nikhil Aggarwal, HOD [ACC]

• Docking analysis: Understanding how   drugs function at the molecular level.
• Based on binding energy, Hydrogen bond interactions, electrostatic interactions,   hydrophobic interactions, etc.)
• BINANA (binding analyser)
• Pdbsum for visualising protein-ligand interactions
• Building protein-ligand complex and visualization (publication standard)

18 April  2023: Day 5 - Session 5: By Dr. Nikhil Aggarwal, HOD [ACC]

Virtual Screening: Computational technique used in drug discovery to search libraries of small molecules in order to identify those structures which are most likely to bind to a specific drug target.

• Introduction to Virtual Screening and related input parameter
• Installation of software required for Virtual Screening, calculations and result analysis

19 April 2023: Day 6 -  Session 6: By Dr. Nikhil Aggarwal, HOD [ACC]

Reverse Screening: Computational technique where an already known active compound is screened against a set of potential targets

• Introduction to Reverse Screening and related input parameter
• Installation of software required for Reverse Screening, calculations and result analysis

20 April 2023: Day 7 - Session 7: By Dr. Nikhil Aggarwal, HOD [ACC] 

ADMET Analysis: Computational analysis used to detect Absorption, Distribution, Metabolism, Excretion and Toxicity behaviour of a drug

• Introduction to ADMET analysis and related input parameter
• Installation of software required/web-based servers, calculations and result analysis.

Salient Features:

• Eligibility: Candidate must have knowledge of science  (not less than under-graduation level)
• FDP will be taken via online mode: Platform-Zoom
• Registered candidates can submit a short report (template will be provide) for further screening
• E-certificates will be provided to all registered participants
• Training will be provided on Windows Operating system
• Programming and coding knowledge is not required for above FDP.
• Lecture Mode: English