Back close

Computational Chemistry & Molecular Docking Studies

Start Date: Monday, Mar 01,2010

School: School of Biotechnology

Co-Project Incharge:Dr. Bipin Kumar G. Nair
Funded by:Amrita Vishwa Vidyapeetham
Computational Chemistry & Molecular Docking Studies

Docking studies are computational techniques for the exploration of the possible binding modes of a substrate to a given receptor, enzyme or other binding site. The application of computational methods to study the formation of intermolecular complexes has been the subject of intensive research during the last decade. The department of phytochemistry has a collection of compounds structures. Our aim is to find a target molecule for different Matrix metalloproteinase (MMPs) in cancer cells, diabetic wound healing and carbonic anhydrase inhibitors. We presently focusing on, the docking interactions on carbonic anhydrase with 40 different flavonoids (flavones, flavonols and biflavones). A few lead molecules have been identified. Some representative are given below.           

Related Projects

Use of viral agents, microbial fuel cell and effec tive recycling strategy to improve the economics of human waste disposal
Use of viral agents, microbial fuel cell and effec tive recycling strategy to improve the economics of human waste disposal
Synergistic Effects of Plants and Bacteriophages in Wastewater treatment
Synergistic Effects of Plants and Bacteriophages in Wastewater treatment
Morophological Evaluation of Plasmid DNA using Microfluidic Device
Morophological Evaluation of Plasmid DNA using Microfluidic Device
Development and Fabrication of non-enzymatic Electrochemical Glucose Biosensor and Fabrication of Glucometer
Development and Fabrication of non-enzymatic Electrochemical Glucose Biosensor and Fabrication of Glucometer
A study on the utilization of student welfare schemes offered by Government of Tamil Nadu in Coimbatore district
A study on the utilization of student welfare schemes offered by Government of Tamil Nadu in Coimbatore district
Admissions Apply Now