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OJVRTM
Online Journal of Veterinary Research©
(Including Medical and Laboratory Research)
Established 1994
ISSN 1328-925X
Volume 28 (1):19-31, 2024.
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.
ABSTRACT
Singh
VK, Chand R, Singh BD., In silico 17β-Hydroxysteroid
dehydrogenase fungicide for leaf spot disease (Cercospora
sp)., Onl
J Vet Res., 28 (1): 19-31, 2024. The
fungus Cercospora
sp. causes leaf spot disease.
17β-Hydroxysteroid dehydrogenase (17β-HSD)
a short-chain dehydrogenase/reductase common to fungi is required for pentaketide melanogenesis pathway
and pathogenesis by Cercospora.
The structure of 17β-HSD was modeled to determine active sites on the
enzyme and docking to determine interactions with potential inhibitors. The
fungicide Pyroquilon was chosen as a template and Tricyclazole as a target 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 compared with Pyroquilon.
In silico analysis confirmed the
strength of the 17β-HSD-Tricyclazole complex
suggesting a potential for Tricyclazole for
inhibiting 17β-HSD.
Keywords:
In-silico; In-vitro; Tricyclazole;
Cercospora canescens; Fungal disease; Fungicide,
17β-HSD.
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