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The present study investigates the chemical composition of  Cyamopsis tetragonoloba  (L.) Taub. leaves and fruits extracts and their molecular docking studies as antifungal agents against rice phytopathogenic fungi. The extracts were prepared by using Soxhlet apparatus taking ethyl acetate, ethanol and methanol as solvents. These extracts were characterized by GC-MS analysis and were evaluated for their antifungal potential against  Rhizoctonia solani  and  Drechslera oryzae . Maximum antifungal activity was shown by ethyl acetate fruits extract with minimum EC 50  values. All the major compounds in guar extracts were subjected to molecular docking studies against the fungal target protein, i.e. lanosterol 14α- demethylase to find their potential binding mode and binding affinity. Among the six compounds, stigmasterol and γ-sitosterol bound most strongly with the receptor through the involvement of single-residue interactions. Hence, both these sterols present in ethyl acetate fruits extract can be effectively used to control these phytopathogenic fungi.

archives of phytopathology and plant protection

Chemical composition and molecular docking studies of  Cyamopsis tetragonoloba  (L.) Taub. leaves and fruits extracts as antifungal agents against rice phytopathogenic fungi