Computational Study of Interaction between CYP450 Protein and Pyrethroids in the Cattle Tick, Rhipicephalus annulatus
Journal Title: IOSR Journal of Pharmacy (IOSRPHR) - Year 2018, Vol 8, Issue 4
Abstract
The present work was carried out to examine the binding efficiency of pyrethroids-Cypermethrin, Flumethrin, and Deltamethrin on CYP41, encoding cytochrome P450 of Rhipicephalus annulatus by computational docking studies. The protein structure of CYP41 was predicted using Phyre2 web portal, and the structure validation was performed using SAVES4 server. The predicted structure was docked with different commonly used pyrethroids using GLIDE. Among the acaricides docked, Flumethrin showed the best binding energy. There are no considerable variations among the binding energy levels and scores of the acaricides with the target molecule. From the study, we inferred that CYP41 is an effective target for the selected pyrethroids.
Authors and Affiliations
Amritha A. . , Shamjana U, Gangaraj K. P, Rajesh M. K. 2, Reghu Ravindran, Krishnapriya H, Tony Grace1
Keywords
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