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OJBTM
Online Journal of Bioinformatics ©
Volume 15 (2): 198-209, 2014.
In silico 17β-Hydroxysteroid
dehydrogenase fungicide for leaf spot disease (Cercospora sp).
Vinay
Kumar Singh1*, Ramesh Chand2 and Brahma Deo Singh3*
1Centre for
Bioinformatics, 2Department of Mycology and Pathology, 3School
of Biotechnology, Banaras Hindu University, Varanasi- India.*Correspondence
ABSTRACT
Singh VK, Chand R, SinghBD.,
In silico 17 β-Hydroxysteroid
dehydrogenase fungicide for leaf spot disease (Cercospora
sp)., Onl J Bioinform., 15 (2): 198-209, 2014. The fungus Cercospora sp. causes leaf spot disease. 17β-Hydroxysteroid dehydrogenase (17β-HSD), a short-chain
dehydrogenase/reductase super family member common to various fungi, is a key
enzyme in the pentaketide melanogenesis
pathway involved in the pathogenesis of Cercospora.
The structure of 17β-HSD was modeled to determine active sites on the
enzyme and docking analysis was done to determine interactions with potential
inhibitors. The fungicide Pyroquilon was chosen as a
template and Tricyclazole as a target, and subjected
to structural optimization and docking techniques to improve the suitability of
potential chemical inhibitors at docking site of 17β-HSD. Tricyclazole had better binding affinity to 17β-HSD as
compared with Pyroquilon. In silico
analysis confirmed the strength of the 17β-HSD-Tricyclazole
complex suggesting a potential of Tricyclazole for
inhibiting 17β-HSD.
Keywords: In-silico; In-vitro; Tricyclazole; Cercospora canescens; Fungal disease; Fungicide, 17β-HSD.