A COMPHREHENSIVE STUDY ON DOCKING ANALYSIS OF PHYTOCONSTITUENTS
*Anita A., Dr. Kalpana Diwekar and Dr. Geetha K. M.
The process of drug discovery involves technical and prolonged procedures to find a perfect lead molecule and compels us to source newer methods discovering biological targets by the knowledge of computational tools, molecular docking which is a part of molecular biology and CADD offers the solution, The review aims a brief write up on usage of molecular docking for various screening of compounds and hypothesis of ligand binding with receptor complex to form a stable complex and finally through 3d conformation get a perfect lead optimization which is targeted mainly on phytoconstituents. The computational technique to find out a special arrangement with the help of a software to pedict a ligand –receptor complexes having minimum energy, maximum specificity and efficacy is also called in silico approach. As the study of phytoconstituents is still under explored therefore it’s an effort to co-relate and encourage research based on it.
Keywords: Computer aided drug design, Target, Three dimensional molecule, ligand, phytoconstituents.
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