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EVALUATION OF IN-SILICO ANTICANCER POTENTIAL OF PYRETHROIDS: A COMPARATIVE MOLECULAR DOCKING STUDY
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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
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