SKILL-Drug Research using Biovia

Teacher

Somalika Pradhan

Category

Skill Courses

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Course Name : SKILL- Drug Research using Biovia

Code(Credit) : ABC01(0-2-2)

Course Objectives

• To know about the  tools of discovery studio Biovia software
• Ligand-protein interaction
• Drug designing

Learning Outcomes

• Prediction of drug by molecular docking
• Pharmacophore modelling
• Publication/product

Course Syllabus

Module I: Discovery of phytochemicals as potential drug substitute (18 hrs)

Practice: Use of discovery studio for drug design
Practice: Phytochemicals present in a particular plant and download its mol file
Practice: Identification of enzyme molecules of a microbe using Brenda enzyme database
Practice: Downloads PDB file of different enzymes
Practice: Study of different parts of an enzyme molecule in a molecular window.
Practice: Ligand-protein molecular docking.

Module 11: Identification of pharmacophore (Automatic/Manually) (9 hrs)

Practice: Automatic identification of structural feature of a pharmacophore

Practice: Identification of a pharmacophore manually

Practice: ADMET and Toxicity report analysis of a drug molecule.

Module 111: Functionalisation of a molecule and study its potential as a drug (3hrs)

Practice: Forcefield of a protein molecule using simulation.

Reference Books :

  1. Textbook of Drug Design and Discovery. Edited By Kristian Stromgaard, Povl Krogsgaard-Larsen, Ulf Madsen. 2017. CRC Press
  2. Drug Discovery and Development, Third Edition. Edited By James J. O'Donnell, John Somberg, Vincent Idemyor, James T. O'Donnell. 2020. CRC Press

Projects [30hrs]
(1) Identification of a specific phytochemical for a disease.
(2)Identification of a chemical drug based on structural similarity with a phytochemical for a specific disease.
(Two publications from this projects)

Session Plan

Session 1

Session 2

Session 5

Session 7

Session 8

Session 10

Session 11

Project-1 Identification of a specific phytochemical for a disease

Session 12

Project-1 Identification of a specific phytochemical for a disease

Session 13

Project-1 Identification of a specific phytochemical for a disease

Session 14

Project-1 Identification of a specific phytochemical for a disease

Session 15

Project-2 Identification of a chemical drug based on structural similarity with a phytochemical for a specific disease

Session 16

Project-2 Identification of a chemical drug based on structural similarity with a phytochemical for a specific disease

Session 17

Project-2 Identification of a chemical drug based on structural similarity with a phytochemical for a specific disease

Session 18

Project-2 Identification of a chemical drug based on structural similarity with a phytochemical for a specific disease

Session 19

Project presentation

Journal paper for reference

Session 20

Project presentation

Journal link

Case Studies

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    Miss. Somalika Pradhan is currently working as a lecturer in the school of vocational engineering and technology at Centurion University of Technology and Management (CUTM), Odisha, India. She completed her master degree in chemistry from Odisha university of agriculture and technology, BBSR in the year 2013.Her area of interest includes Bio chemistry, Green chemistry, polymer […]