Author(s):
Sneha R. Chandani, Poonam A. Thorat, Rabindra K. Nanda, Sohan S. Chitlange
Email(s):
jhonnel404@gmail.com
DOI:
10.5958/0974-360X.2019.01017.5 
Address:
Sneha R. Chandani*, Poonam A. Thorat, Rabindra K. Nanda, Sohan S. Chitlange
Dr. D. Y. Patil Unitech Society’s, Dr. D. Y. Patil Institute of Pharmaceutical Sciences and Research, Pimpri, Pune-411018, India
*Corresponding Author
Published In:
Volume - 12,
Issue - 12,
Year - 2019
ABSTRACT:
Aim: To perform docking of phytoconstituents of Cynodon dactylon on dengue NS2B- NS3 protease using virtual screening technique. Method: The selected target protein structure was retrieved from protein data bank (PDB ID-3U1I) and ligands were downloaded from pubchem. The refined and energy minimized ligands were docked on the prepared protein using FlexX software. Result: Orientin, triglochinin, apigenin and luteolin were found to show the least free binding energy and good interaction with essential amino acids of NS2B-NS3 protein of dengue virus. They bound to amino acids. Conclusion-Flavones and flavonoids present in Cynodon dactylon could serve as potential leads for development of NS2B-NS3 protease inhibitors.
Cite this article:
Sneha R. Chandani, Poonam A. Thorat, Rabindra K. Nanda, Sohan S. Chitlange. Docking of Phytoconstituents of Cynodon dactylon on NS2B NS3 protease domain of Dengue virus. Research J. Pharm. and Tech. 2019; 12(12): 5865-5870. doi: 10.5958/0974-360X.2019.01017.5
Cite(Electronic):
Sneha R. Chandani, Poonam A. Thorat, Rabindra K. Nanda, Sohan S. Chitlange. Docking of Phytoconstituents of Cynodon dactylon on NS2B NS3 protease domain of Dengue virus. Research J. Pharm. and Tech. 2019; 12(12): 5865-5870. doi: 10.5958/0974-360X.2019.01017.5 Available on: https://rjptonline.org/AbstractView.aspx?PID=2019-12-12-40