GCMS-based evaluation, characterization and in silico analysis of antimicrobial metabolites in the crude extract of cold-adapted Alcaligenes pakistanensis LTP10

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Abstract

Antagonistic microorganisms from extreme environments have gained great attention from scientists due to increasing threat of global antimicrobial resistance. In this context, previously isolated cold-adapted isolate from Passu glacier Alcaligenes pakistanensis LTP10 was used to extract their antimicrobial metabolites with organic solvents. MIC and MBC assays of the extract were performed. The synergistic effect of LTP10 ethyl acetate extract was studied with known antibiotics against Staphylococcus aureus and Escherichia coli. The extract was analyzed by FTIR, GC-MS, and in silico studies. Ethyl acetate extract of LTP10 has shown a maximum activity of 20 ± 1.0 and 19.3 ± 1.2 mm against Staphylococcus epidermidis and S. aureus, respectively. MIC of the extract was 0.4 and 1.6 mg/mL against S. aureus and E. coli, respectively. FTIR analysis revealed the presesnce of functional groups belonging to alcohols, aliphatic hydrocarbons, and nitrogen containing organic compouns. GC-MS analysis confirmed the presence of important antimicrobial compounds Dodecanoic acid, 3-hydroxy-, 7,9-Di-tert-butyl-1-oxaspiro(4,5)deca-6,9-diene-2,8-dione, and Pyrimidine-2,4(1H,3H)-dione in ethyl acetate extract of LTP10. A molecular docking study of these compounds has shown that 7,9-Di-tert-butyl-1-oxaspiro(4,5)deca-6,9-diene-2,8-dione has strong binding affinity of -7.8 kcal/mol against dihydrofolate reductase. Moreover, an ADMET study of the compounds has predicted their good intestinal absorption and non-toxic nature. In this work, we uniquely identify and characterize antimicrobial metabolites of glacier-derived Alcaligenes, combining GC–MS profiling with in-silico analysis. It was concluded that Alcaligenes pakistanensis LTP10 could be considered a good source for antimicrobial compound production, which should be further characterized by analytical techniques.

Keywords

Alcaligenes pakistanensis / GC-MS / molecular docking / extreme environments / passu glacier / cold-adapted

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