• REETU GOUR
• Professor A.P. Garg
• Ajay Kumar Shukla

Fusarium oxysporum f. sp. lycopersici is a soil borne plant pathogen belonging to Class Hyphomycetes. It causes fusarial wilt specifically in tomato. Cytochrome b protein plays an important role in electron transport chain during respiration and is considered as crucial target for developing anti-fungal compounds. We predicted the protein model of cytochrome b in Fusarium oxysporum based on Saccharomyces cerevisiae cytochrome b template. Chain-A of cytochrome b in Fusarium oxysporum f. sp. lycopersici is identical to the N-chain of cytochrome b of Saccharomyces cerevisiae. Predicted cytochrome b structure was used to screen ZINC database compounds through DOCKBlaster which yielded 200 top scoring compounds. In this paper, we report best two compounds namely, ZINC53788 and ZINC18029029 which can be further evaluated for their anti-fungal activities through field or laboratory trials. The binding affinity scores for these two compounds have been calculated as -37.55 and -37.09 kcal/mol respectively using SAS. They are expected to inhibit the functions of cytochrome-b at ubiquinol binding site based on higher predicted binding affinity. This inhibition is expected to inactivate the toxic effects of F. oxysporum f. sp. lycopersici by preventing binding of ubiquinol on cytochrome-b protein by interfering in its metabolic process. The mode of action can further be elucidated and proved using the potential of ZINC53788 and ZINC18029029 compounds as anti-fungal agents.

Binding affinity, Comparative modeling, Cytochrome-b, Fusarium oxysporum f. sp. lycopersici, Virtual Screening

"Efficient identification of Novel Antifungal Compounds Targeting Cytochrome-b of Fusarium oxysporum f. sp. lycopersici by Virtual Screening and Statistical Analysis", International Journal of Emerging Technologies and Innovative Research (www.jetir.org), ISSN:2349-5162, Vol.4, Issue 4, page no.363-368, April-2017, Available :http://www.jetir.org/papers/JETIR1704082.pdf

"Efficient identification of Novel Antifungal Compounds Targeting Cytochrome-b of Fusarium oxysporum f. sp. lycopersici by Virtual Screening and Statistical Analysis", International Journal of Emerging Technologies and Innovative Research (www.jetir.org | UGC and issn Approved), ISSN:2349-5162, Vol.4, Issue 4, page no. pp363-368, April-2017, Available at : http://www.jetir.org/papers/JETIR1704082.pdf