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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
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.