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Drug Design Using Biovia

Drug Design Using Biovia

Teacher

Chinmaya Chidananda Behera

Category

Certificate Courses

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Course Name: Drug Design Using Biovia

Course Objectives

The drug discovery process is a painstaking and expensive process. taking about 10 years' time and costing around US 1.0 B dollars per molecule. Many drug candidates fail the clinical trials fail because of many reasons. Computer-Aided Drug Design can hasten the process, reduce surprises, and predict the properties, thereby reducing the cost of R&D. The course will cover structure and target-based design, molecular modeling, drug-likeness properties, etc. using opensource as well as the paid version of Biovia Discovery Studio, licensed to Centurion University.

Learning Outcomes

After completion of this course, students will be eligible to identify safe and efficacious biological molecules from natural as well as synthetic sources and design novel drug candidates for various diseases. Students by acquiring adequate knowledge of the processes shall be able to know the repurposing of already available drugs for safe and effective medication for various diseases and will also be eligible for various positions at research laboratories and pharmaceutical industries, both in India and abroad.

Course Syllabus

1. Introduction to Drug Discovery Processes

2. Introduction to Biovia Discovery Studio

3.Ligand sketching using Biovia Discovery Studio.

4. Ligand importing and Handling with Biovia Discovery Studio.

5. Study of Various Chemical and Ligand databases and structure search in the databases.

6. Structure importing from chemical databases and Handling of Large chemical databases.

7. Study of various components of a receptor protein.

8. Protein analysis and identification of active site cavities by using Discovery Studio.

9. Diseases target search at various biological pathways.

10. Study of Various protein databases and identification of desired protein for study.

11. Ligand preparation steps and algorithms.

12. Automated Ligand preparation using using Discovery Studio.

13. Theory of Ligand Filtration and screening.

14. Ligand Filtration of Large chemical database.

15. Protein preparation steps and algorithms.

16. Protein preparation using Discovery Studio.

17. Theory of Receptor - Ligand Interaction and Molecular Docking.

18. Molecular Docking using Discovery Studio.

19. Lead Identification through Virtual screening.

20. Structure based virtual screening using Discovery Studio.

21. ADMET Descriptors and their theories.

22. Prediction of ADMET properties of Ligands using Discovery Studio.

23. Introduction to pharmacophore model and their use in drug discovery.

24. Pharmacophore modeling using Discovery Studio (Auto Pharmacophore Generation)

25. Pharmacophore modeling using Discovery Studio (Common Feature Pharmacophore Generation)

26. Pharmacophore modeling using Discovery Studio (3D QSAR Pharmacophore Generation)

27. Virtual screening using Pharmacophore model using Discovery Studio.

28. Protein- Protein Docking and Interaction study.

29. Data Analysis of Molecular Docking Score and study of various docking interactions.

30. Interpretation of Molecular Docking Score results for Publication.

Session Plan

Session 1

Introduction to Biovia Discovery Studio

Session 2

Ligand sketching and ligand importing to Biovia Discovery Studio

Session 3

Study of Various Ligand databases and structure importing from chemical databases

Session 4

Protein analysis and identification of active site cavities, by using Discovery Studio

Session 5

Study of Various protein databases and identification of desired protein for study

Session 6

Ligand preparation using Discovery Studio

Session 7

Ligand Filtration of Large chemical database

Session 8

Protein preparation using Discovery Studio

Session 9

Molecular Docking using Discovery Studio

Session 10

Structure-Based virtual screening using Discovery Studio

Session 11

Prediction of ADMET properties of Ligands

Session 1

Introduction to Biovia Discovery Studio

Session 12

Introduction to pharmacophore model and its use in drug discovery

Session 13

Pharmacophore modeling using Discovery Studio

Session 14

Virtual screening using Pharmacophore model in Discovery Studio

Session 15

Data Analysis and interpretation of results for Publication

Our Main Teachers

Medicinal Chemistry, Molecular Modelling, Synthesis, Characterization, Extraction, Isolation, Biological Assay

Lipsa samal

Assistant professor
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Shubhashree Das

Assistant Professor
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