ANTIMICROBIAL, ANTIOXIDANT, GC-MS ANALYSIS AND MOLECULAR DOCKING ANALYSIS OF BIOACTIVE COMPOUNDS OF ENDOPHYTE ASPERGILLUS FLAVUS FROM ARGEMONE MEXICANA

Studies of potent antibiotics from plant endophytes have become a new interest among researchers. Plant derived are costly, laborious, time-consuming and require extensive area land. Endophytes can be used as an alternative source antibiotics. microbes (bacteria fungi) that live inside healthy tissues do not show any antagonistic symptoms. They produce variety secondary metabolites having various commercial properties, medicinal, environmental, agronomic purposes. In present work, endophytic fungi Aspergillus flavus associated with Argemone mexicana, was tested for its antimicrobial activity. The A. were extracted using ethyl acetate solvent their antibacterial potential against certain Gram-negative bacteria, Salmonella typhimurium, Klebsiella pneumoniae, Vibrio cholerae, Escherichia coli, Gram-positive bacteria Staphylococcus aureus Agar well diffusion assay. Thin layer chromatographic bands also checked further to know the bioactive spot. Gas chromatography- mass spectroscopy (GC-MS) identify compounds in TLC fraction eighteen identified. Molecular docking MM-GBSA performed respective proteins S. (5JG0, 5JQ6, 1T2W, 3WYI, 3TFP, 3G7B, 3WQU) E. coli (1AJ0, 1GG4, 1 AJ6, 5ZHE 7D6G) by Schrodinger Maestro. silico analysis suggested Methyl (3-oxo-2-pentylcyclopentyl) (MOPA) 13-Hexyloxacyclotridec-10-en-2-one (HCT) exhibited best binding affinity most receptors. Pharmacokinetics physicochemical showed HCT MOPA drug candidate coli.