International Journal of Pharma and Bio Sciences
ijpbs.net
editorijpbs@rediffmail.com (or) editorofijpbs@yahoo.com (or) prasmol@rediffmail.com
10.22376/ijpbs.2019.10.1.p1-12
Volume 6 Issue 2
2015 (April - June)
MOLECULAR DOCKING STUDIES OF HERBAL LIGANDS SHOWING ANTI-TUMOR PROPERTIES
lessThan i greaterThan In lessThan /i greaterThan lessThan i greaterThan silico lessThan /i greaterThan docking exercise of different herbal based ligands with anti-tumor properties, revealed that vinorelbine got docked onto breast cancer kinase protein with the lowest calculated interaction energy. Since the molecule was present in its unrefined form, it was further refined using geometrical optimization technique as implemented in GAUSSIAN software package. There was no substantial difference in the calculated interaction energy between unrefined and refined vinorelbine structure when docked onto the kinase protein; however, the protein complexed with the drug molecule, tamoxifen shared few residues that were interacting with refined vinorelbine structure, which was not seen in unrefined one.
GIREESH KAMATH H , DEECARAMAN AND RAMESH KV
Breast cancer protein, docking, herbal ligands, HEX, Vinorelbine.
1140-1154