Sun, 23 Apr|
Online FDP [Live + Recordings]: CADD
7-Days Online FDP/Workshop on Computer Aided Drug Design-Advanced |Hands-on-Training| |CADD|
Speaker: Dr. Nikhil Aggarwal [Head, Centre for Advanced Computational Chemistry Studies], Ph. D. [IIT Madras], M.Sc. & B.Sc. [Delhi University]
Time & Location
23 Apr, 9:00 pm IST – 29 Apr, 10:00 pm IST
Online FDP [Live + Recordings]: CADD
About the event
- 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
23 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)
24 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
25 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.
26 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)
27 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
28 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
29 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.
- 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
FDP: Computer Aided Drug Discoveryonline
Indian: Morning (Discounted)
7-Days FDP: CADD Workshop(CCM) Step1: Click on + icon then Click on Checkout option below Step2: Enter your Details then Tick on Terms and Conditions/policy Step3: Click on Razorpay and Submit Fees via Netbanking, UPI (gpay, phonepay, paytm) Debit and Credit card. Step4: Check Email inbox for receipt.₹700.00+₹17.50 service fee
Indian: Evening (Discounted)
7-Days FDP: Computer Aided Drug Design - Advanced (CADD-A) Step1: Click on + icon then Click on Checkout option below Step2: Enter your Details then Tick on Terms and Conditions/policy Step3: Submit Fees via Netbanking, UPI, Debit and Credit card. Step4: Check Email inbox for receipt.₹700.00+₹17.50 service fee
Indian: Morning (undiscounted)
7-Days FDP: Computer Aided Drig Design - Advanced (CADD-A)₹1,500.00+₹37.50 service fee
Indian: Evening (Undiscounted)
7-Days FDP: Computer Aided Drug Design (CADD-A)₹1,500.00+₹37.50 service fee