ANTIBACTERIAL PROPERTY AND MOLECULAR DOCKING STUDIES OF METHANOLIC FUNGAL PHYTOCHEMICALS OF CLAVICEPS PURPUREA INFECTED TO BAJRA (PENNISETUM GLAUCUM) CROP
Background: Methanol fungal extract of Claviceps purpurea was extensively used in the treatment of epilepsy, dental caries, cardiovascular disease and preventive agent against several tumors in animals. Objective: To assess antibacterial activity of the methanol fungal extract of Claviceps purpurea. Materials and Methods: Mass production of fungal mat of Claviceps purpurea fungus was established on potato dextrose broth medium. Dried methanol extract of fungus was subjected to HR-LCMS analysis; antibacterial screening of the extract was carried out against pathogenic bacteria. Molecular docking study of HR-LCMS identified compounds was performed by docking with Bacterial enzyme DNA Gyrase. Results: HR-LCMS analysis of methanol extract of Claviceps purpurea fungus shows that the compounds Arecoline, Benperidol, Felbamate, Solanidine and Triparanol as the major constituents. The antibacterial screening of methanol extract of fungus against bacterial pathogens showed significant bactericidal activity against the strains Pseudomonas aeruginosa (14.40±0.04mm), Xanthomonas compestris (13.60± 0.06mm) Escherichia coli (13.40±0.06mm), Salmonella typhi (11.50± 0.05mm), Staphylococcus aureus (11.37±0.04 mm.), and as matched to the standard drug ciprofloxacin. The molecular docking of Triparanol against the bacterial enzyme DNA Gyrase showed good binding affinity of -6.2 kcal/Mol, good drug likeness (7.3767), 2 hydrogen bonds and hydrophobic interaction with 8 amino acid residues, so that Triparanol shows good inhibitor as compared to other 4 compounds. Conclusion: methanol fungal extract of Claviceps purpurea showed significant antibacterial activity against pathogenic bacteria. Triparanol is the major compound present in Claviceps purpurea fungus which showed good inhibitory activity against bacterial enzyme DNA Gyrase. The methanol extract of Claviceps purpurea fungus displayed a good antibacterial drug.
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