Exploring Antimicrobial Activity of Neowestiellopsis persica Metabolites Through in Vitro and in Silico Approach

The present study investigates the antibacterial potential of fatty acid methyl esters (FAMEs) from the cyanobacterial species Neowestiellopsis persica, isolated from Meghalaya, a north-eastern state in India. Given the growing threat of antibiotic resistance, this study explores an alternative source of bioactive compounds from cyanobacteria to combat bacterial pathogens such as Escherichia coli, Klebsiella pneumoniae, and Staphylococcus aureus. The cyanobacterial species Neowestiellopsis persica was cultured under controlled laboratory conditions, followed by the extraction of fatty acid methyl esters (FAMEs). The extract was then screened for antimicrobial activity using Kirby-Bauer disc diffusion assays, demonstrating significant inhibition of bacterial growth, particularly against Staphylococcus aureus with a zone of inhibition of 22 ± 1 mm. Minimum inhibitory concentration (MIC) tests further supported the antibacterial efficacy of the extract with Staphylococcus aureus and Klebsiella pneumoniae exhibiting the lowest minimum inhibitory concentrations of 2.5 ± 0 mg/mL. Gas chromatography-mass spectrometry (GC-MS) analysis identified four key bioactive compounds which were subsequently evaluated through in silico molecular docking studies. The docking results revealed promising interactions between the bioactive compounds notably heptacosanoic acid, 25-methyl,-methyl ester with PBP2a protein of Staphylococcus aureus with the lowest binding energy of -6.49 ± 0.560 kcal/mol, suggesting potential for developing new antimicrobial agents. Additionally, the drug-likeness and toxicity of the compounds were assessed using in silico tools, supporting the potential for these compounds as viable candidates for future antibacterial drug development.