Computer-Aided Drug Design (CADD) Master Course

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BioTecNika

Getting Started

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Module 1 : Introduction to Drug Discovery Process & CADD

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Module 2 : Ligand Based Drug Design (Pharmacophore Design)

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Module 3 : Structure Based Drug Design (Target-Ligand Docking)

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Day 12 : Introduction to Structure based Drug Design and process layout of Docking (79:22)
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Day 13 : Data mining, literature study and acquisition of target structure (65:26)
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Day 14 : Comparative modelling of protein (Homology modelling) (70:11)
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Day 15 : Active site/ Pocket identification –MetaPocket, CastP, Active site identification using PyMol (62:51)
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Day 16 : Protein & Ligand Preparation (79:38)
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Day 17 : Docking Analysis (based on binding energy, Hydrogen bond interactions, electrostatic interactions, hydrophobic interactions, etc.) (61:58)
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Day 18 : Approaches of Structure based drug design: Structure-based virtual high-throughput screening, Fragment-based lead discovery, In silico structure-based lead optimization, ADMET modelling (86:12)

Module 4

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Module 5

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Knowledge Test

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