{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,30]],"date-time":"2026-03-30T15:00:05Z","timestamp":1774882805510,"version":"3.50.1"},"reference-count":58,"publisher":"Frontiers Media SA","license":[{"start":{"date-parts":[[2025,3,26]],"date-time":"2025-03-26T00:00:00Z","timestamp":1742947200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":["frontiersin.org"],"crossmark-restriction":true},"short-container-title":["Front. Bioinform."],"abstract":"<jats:sec><jats:title>Introduction<\/jats:title><jats:p>The genus <jats:italic>Streptomyces<\/jats:italic> is renowned for its prolific production of bioactive compounds, including antibiotics and secondary metabolites with pharmaceutical applications. This study focuses on <jats:italic>Streptomyces<\/jats:italic> sp. VITGV156, an isolate with promising antimicrobial properties, aiming to characterize its genomic potential and bioactive compounds through computational and experimental analyses.<\/jats:p><\/jats:sec><jats:sec><jats:title>Methods<\/jats:title><jats:p>Genomic sequencing of <jats:italic>Streptomyces<\/jats:italic> sp. VITGV156 was performed to identify biosynthetic gene clusters (BGCs) associated with secondary metabolite production. Antimicrobial assays were conducted using crude extracts against Gram-positive and Gram-negative pathogens. Gas Chromatography-Mass Spectrometry (GC-MS) was employed to identify secondary metabolites. Additionally, ADME (Absorption, Distribution, Metabolism, and Excretion) analysis and molecular docking studies were conducted to assess drug-like properties and binding affinities of selected compounds against bacterial target proteins (PDB IDs: 5M18 and 6NVU).<\/jats:p><\/jats:sec><jats:sec><jats:title>Results<\/jats:title><jats:p>The genome of <jats:italic>Streptomyces<\/jats:italic> sp. VITGV156 was determined to be 8.18 Mb with a G+C content of 72.61%, containing 29 BGCs responsible for the biosynthesis of antimicrobial agents such as nystatin and fluostatins. In vitro antimicrobial assays confirmed strong efficacy of crude extracts against various pathogens, with <jats:italic>Escherichia coli<\/jats:italic> exhibiting the highest susceptibility. Molecular docking studies of 45 identified secondary metabolites revealed binding affinities ranging from -4.0 to -7.5 kcal\/mol (5M18) and -3.9 to -7.2 kcal\/mol (6NVU). Among the identified compounds, squalene (ligand 43) displayed potent antibacterial and antifungal activity, whereas 2,5-piperazinedione, 3-(hydroxymethyl)-6-(phenylmethyl)- (ligand 40) exhibited strong antifungal potential. Conversely, fumaric acid, monoamide, N-benzyl-N-phenylethyl-, ethyl ester (ligand 38) demonstrated weak antifungal activity.<\/jats:p><\/jats:sec><jats:sec><jats:title>Discussion<\/jats:title><jats:p>The genomic and bioactive analysis of <jats:italic>Streptomyces<\/jats:italic> sp. VITGV156 highlights its potential as a valuable source of novel antimicrobial agents. The identification of unique biosynthetic genes and bioactive secondary metabolites suggests its possible application in combating multidrug-resistant pathogens. Further studies, including purification and in vivo testing, are necessary to validate these findings and explore their therapeutic potential<\/jats:p><\/jats:sec>","DOI":"10.3389\/fbinf.2025.1544800","type":"journal-article","created":{"date-parts":[[2025,3,26]],"date-time":"2025-03-26T10:08:24Z","timestamp":1742983704000},"update-policy":"https:\/\/doi.org\/10.3389\/crossmark-policy","source":"Crossref","is-referenced-by-count":2,"title":["Streptomyces sp. 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