Antibacterial and Molecular Docking Studies of Secondary Metabolites of Claviceps purpurea infected to Bajra (Pennisetum glaucum) Crop
Author: Lokesh S.T., Sowmya H.V., Thippeswamy Basaiah and Ravikumar S.
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Abstract
Claviceps purpurea a plant pathogenic fungus, this fungal extract contains number of therapeutic compounds, these compounds shows the significant pharmacological values. For evaluation of phytochemical analysis and antibacterial activity, first, to preparation of culture filtrate of Claviceps purpurea on the potato dextrose broth. After collection of filtrate then add ethyl acetate solvent to the separating funnel for solvent extraction method. Dried ethyl acetate extract was subjected to HR-LCMS analysis, antibacterial screening was carried out against tested bacterial strains. Molecular docking study of HR-LCMS, identified compounds were performed by docking with bacterial enzyme DNA gyrase. HR-LCMS analysis of extract of Claviceps purpurea showed compounds are Aldicarb, Arecoline, Glimepiride, Gedunin and Pentobarbital are the major constituents. The antibacterial screening of ethyl acetate extract against bacterial strains showed significant bactericidal activity, Pseudomonas aeruginosa (16.80±0.15mm), As compared to the standard drug ciprofloxacin (39.4±0.2). The molecular docking of gedunin against the bacterial enzyme DNA gyrase exhibited decent inhibitor as compared to other 4 compounds. Finally, this study reveals that the ethyl acetate extract of Claviceps purpurea showed significant pharmacological activities
Keywords
Claviceps purpurea, Antibacterial, ADMET, DNA Gyrase, Molecular docking
Conclusion
Ethyl acetate extract of Claviceps purpurea contains number of therapeutic antibacterial compounds like Aldicarb, Arecoline, Glimepiride, Gedunin and Pentobarbital. The antibacterial activity of result was in more in Pseudomonas aeruginosa (16.80±0.15mm). In silico docking studies also supported the inhibition of DNA Gyrase with the highest bonding efficiency and hydrophobic interaction. Due to unscientific overexploitation, many of the medicinal are becoming endangered. The harvesting of antibacterial compounds from the in vitro grown-up fungus Claviceps purpurea ethyl acetate extract is a better method to fight infectious microbial diseases. This extract is further use for in vivo studies of animals
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How to cite this article
Lokesh S.T., Sowmya H.V., Thippeswamy Basaiah and Ravikumar S. (2025). Antibacterial and Molecular Docking Studies of Secondary Metabolites of Claviceps purpurea infected to Bajra (Pennisetum glaucum) Crop. Biological Forum, 17(5): 10-16