Computational analysis of phytocompounds with 1,3-β-D-Glucan synthase for antidermatophytic activity.
Loading...
Date
2014-02
Authors
Journal Title
Journal ISSN
Volume Title
Publisher
Abstract
Skin diseases are the most common infection in humans as well as in animals caused by fungi like yeast, mould
and dermatophytes. In this study, in silico analysis of 20 phytocompounds was carried out for their efficacy as
antidermatophytic agents using the receptor 1, 3 - β -D-Glucan synthase. The 3D structure of the receptor
obtained using Modeller9V8 was validated with Procheck, where Ramachandran plot showed 80.3% of residues
in the most favoured region. The phytocompounds and the drugs Echinocandin B and Caspofungin were docked
with 1, 3 - β -D-Glucan synthase using Glide. Though all the 20 compounds exhibited lesser energy than both
Echinocandin B (-3.3Kcal/mol) and Caspofungin (-1.68 Kcal/mol), Quercetin-3-O-rutinoside exhibited very less
energy (-11.56 Kcal/mol). Further, comparing to synthetic drugs, the entire compounds selected for this study
showed high interaction with the modeled protein. Hence, the present study concludes that the efficacy of all
phytocompounds used in this study act against dermatophyes and which will be very helpful to the researchers
working in the area of dermatophye drug developments.
Description
Keywords
Skin disease, 1, 3-β –DGlucan Synthase, Phytocompounds, Modeller, Glide, Dermatophytes
Citation
Jeyam M, Arangaraj M, Ravikumar P, Shalini G. Computational analysis of phytocompounds with 1,3-β-D-Glucan synthase for antidermatophytic activity. Journal of Applied Pharmaceutical Science. 2014 Feb; 4(2): 64-69.