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Sun, 23 Apr

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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]

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

Time & Location

23 Apr, 9:00 pm IST – 29 Apr, 10:00 pm IST

Online FDP [Live + Recordings]: CADD

Guests

About the event

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.

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

Schedule


  • 145 hours

    FDP: Computer Aided Drug Discovery

    online

Tickets

  • 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

Total

₹0.00

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