MOLECULAR DOCKING FOR HERBAL DEVELOPMENT 

Welcome to Pharmacology Practical Session 

What is Molecular Docking? 

Docking is a molecular modeling technique that is used to predict how a protein (enzyme) interacts with small molecules (ligands). It is the study of how two or more molecular structures (e.g., drug and enzyme or protein) fit together. A herb is consisted by hundred of compounds. Several of them are having active pharmacological effects. Experimental by using in silico modelling is enable us to search for the best candidate for drug development. It is also opens up the possibility to investigate the interaction mechanism between the ligand (drug/compound) within herb with the receptor.