<i>In silico</i> screening of phytochemicals against Ypd1 protein of a destructive storage fungi, <i>Aspergillus</i>

Abstract

One of the most common pests in stored grain is Aspergillus. This group of fungi produces a carcinogenic toxin, Aflatoxin during their growth and development. Contamination of Aspergillus in food grains during storage leads to food insecurity. In the present-day scenario, using plant-based derivatives in controlling Aspergillus is one of the efficient and eco-friendly ways. Hence an in silico study was carried out to know the effective phytochemicals present in Citrus, Carum carvi, Coriander sativum, Aloysia citriodora, Mentha citrate, Spent hops, Nardostachys jatamansi, Feoniculum vulgare, Zingiber officinale, Lantana camara, Chamaecyparis obtusa, Ocimum kilimandscharium, Tagetes filifolia against Aspergillus. Results revealed that the photochemicals viz. Eugenol, zingiberene, carvone, citronellal, limonene, coumaran, linalool, linalyl acetate, esdragol, menthol, E-anethole, camphor, bornyl acetate, xanthohumol and aristolone present in the selected plants can inhibit the normal functioning of Ypd1 protein of Aspergillus by blocking its active site. Thus, the present study makes a base for future researchers to find the most effective phytochemicals in controlling Aspergillus following in vivo method.