Computer-Aided Drug Design (CADD)

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CADD Online Certification Program

Computer-Aided drug design(CADD) is an amazing approach that applies computational methods to discover, develop, and analyze drugs and similar biologically active molecules. Over the past few years, CADD has been involved in some of the most significant contributions in the discovery of new drugs, active molecules, etc. One cannot ignore the role of Computer-aided drug design in the vaccine development for the COVID 19 virus.

CADD aims to equip you with the knowledge about drug discovery, Ligand-based drug design, structure-based drug design, its importance, and limitations. Each lecture in the courses covers the topics at a perfect pace in an elaborate manner.

What this course covers:

Module 1: Introduction to CADD

1. Overview of the process of drug discovery

2. Introduction to Bioinformatics and Understanding Genomics, Proteomics and CADD

3. Databases

4. Sequence-Based Search Tool [BLAST]

5. Factors affecting drug discovery

6. Types of CADD

Module 2: Ligand-based drug design (Pharmacophore design)

1. Pharmacophore Modelling

2. QSAR analysis

3. Similarity search/clustering

4. R-group decomposition

5. Matched pair analysis

Module 3: Structure-based drug design (target-ligand docking)

1. Introduction to Structure-based Drug Design and process layout of Docking

2. Data mining, literature study, and acquisition of target structure

3. Comparative modeling of protein (Homology modeling)

4. Active site/ Pocket identification –MetaPocket,CastP,Active site identification using PyMol

5. Protein and ligand preparation

6. Docking analysis (based on binding energy, Hydrogen bond interactions, electrostatic interactions, hydrophobic interactions, etc.)

7. Approaches of Structure-based drug design: Structure-based virtual high-throughput screening, Fragment-based lead discovery, In silico structure-based lead optimization, ADMET modeling

Module 4: Significance and limitations of CADD in Drug Discovery and Development

Module 5: Case study

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