To equip participants with the computational and theoretical knowledge necessary to design innovative agrochemicals that address current agricultural challenges.
Course Module
Module - 1
Introduction to Computer Aided Drug Designing
Databases, Tools and Softwares
Module - 2
Pathway Driven Target Selection
Retrieval of Target Sequence from Databases
In-silico Physiochemical Parameters Assessment of Target
In-silico Critical Screening of Target
Generation of Target Structure and Validation
Module - 3
Ligand Identification and Retrieval from Databases
In-silico ADME and Toxicity Prediction and Validation
Module - 4
Molecular Docking Studies: (1) Preparation of Protein and Ligand (2) Binding Pocket Prediction and Validation (3) Generation of Input files for Docking (4) Docking and Binding Affinity Prediction
Module - 5
Analyzing Docking Results (1) Visualization of Target-Ligand Docking Poses (2) Identification of Key Interactions between Target and Ligand
Module - 6
Review of Computer Aided Drug Designing Case Studies/Published Research Papers
Group Discussion/Presentation on Executed Work and Discussions on Troubleshooting