Isolation, Molecular identification, Molecular docking In Vitro and In Silico Evaluation study against Fusarium oxysporum sp. Lactucae

Abstract

AbstractFusarium oxysporum is a large species complex of both plant and human pathogens that attack a diverse array of species in a host-specific manner. Fusarium is a plant disease that lives in the soil. It penetrates the plant that leads to the loss of productivity of crops. The flexibility of casing the pathological process of the several Fusarium virulence pathways. The aims of this study were the fungus strain isolation and molecular identification of F. oxysporum f. sp. Lactucae, addition the in Insilco study using molecular docking analysis to determine enzyme and plant phytochemicals from neem and black cumin responsible for inhibition of pathological process of the Fusarium virulence pathways and prevention the initiation of infection process. The causal pathogen of lettuce wilt was isolated, tested its ability to infect lettuce plant under artificial infection, molecularly identified it and theoretically determined the most active natural compounds against it by molecular docking technique. Our results revealed that the typical symptoms of lettuce Fusarium wilt was shown when the plants grown in soil inoculated with the pathogen. The pathogen is identified as F. oxysporum f. sp. lactucae race 5 and the sequence of this F. oxysporum was given the accession number MT249304.1. Moreover, it is known that the Azadirachtica indica and Nigella stevia from previous studies have a fungicide effect, but the cause was not known in this study for the first time the substances responsible for this effect were identified. On the other hand, a homology modeling and molecular docking study was carried out on the most active compounds against F oxysporum .a fungus, in order to understand and determine the molecular interactions taking place between the ligand and the corresponding receptor of the studied target. Results indicated that active ingredient were Azadirachtin2D, Longicyclene 2D, Stearic acid 2D, Neohesperidin, Hydroxy propyl methyl cellulose and Vilasinin 2 D exhibited the best docking scores and interaction profiles within the active site of Fusarium spp. enzymes. After data analyses, information on mycelial growth inhibitors, structural requirements and putative enzyme targets may be used in further antifungal development based on phytoalexin analogs for controlling phytopathogens.