EventsThe 19th International Electronic Conference on Synthetic Organic Chemistry
Published
This submission belongs to the session e. Computational Chemistry of the event The 19th International Electronic Conference on Synthetic Organic Chemistry
Published date
30 Oct, 2015
Citation
Anoop Kumar, Kamal Kant, Manik Ghosh, Padma Charan Behera, Uma Ranjan Lal, Naresh Rangra, EVALUATION OF IN-SILICO ANTICANCER POTENTIAL OF PYRETHROIDS: A COMPARATIVE MOLECULAR DOCKING STUDY, in Proceedings of The 19th International Electronic Conference on Synthetic Organic Chemistry, 1 November–30 November 2015, MDPI: Basel, Switzerland, doi: 10.3390/ecsoc-19-e012
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EVALUATION OF IN-SILICO ANTICANCER POTENTIAL OF PYRETHROIDS: A COMPARATIVE MOLECULAR DOCKING STUDY

Padma Charan Behera 1
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1. Department of Pharmaceutical Sciences and Technology, Birla Institute of Technology, Mesra, Ranchi, Jharkhand (835215), INDIA
Abstract

Pyrethroids have shown promising potential to induce apoptogenic signaling pathways in various cells. Therefore, present study on pyrethroids was designed to unlock better alternative agents against cancer disease. Different targets such as estrogen (PDB: 3ERT), androgens (PDB: 2PIT) & cervix (PDB: 3F81) cancer receptors were used in the study. Type 1 & type 2 pyrethroids were subjected to docking simulations using Maestro 9.2 version (Schrodinger’s LLC). Pyrethroids (Type 1 & type 2) docking studies have revealed varying glide score to cancer receptors. Resmethrin exhibited better binding interaction to estrogen (Glide Score: -7.32) & androgens (Glide Score: -7.47) while fluvalinate against cervix (Glide Score: -4.54) protein receptors. Decrease in glide score be evidence for greater bond stability with protein. Based on the current finding from docking studies, these preliminary results may act as effective precursor tool for development of pyrethroids as promising anticancer agents. However, furthermore experimental validation using in-vitro & in-vivo studies is needed to explore their therapeutic & toxic effects.

Keywords
Pyrethroids
anticancer agents
docking
cancer receptors
Manuscript
Poster
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