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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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