{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,8]],"date-time":"2026-06-08T06:59:23Z","timestamp":1780901963627,"version":"3.54.1"},"reference-count":63,"publisher":"Wiley","issue":"1","license":[{"start":{"date-parts":[[2026,6,7]],"date-time":"2026-06-07T00:00:00Z","timestamp":1780790400000},"content-version":"vor","delay-in-days":157,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"},{"start":{"date-parts":[[2026,1,1]],"date-time":"2026-01-01T00:00:00Z","timestamp":1767225600000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["BioMed Research International"],"published-print":{"date-parts":[[2026,1]]},"abstract":"<jats:p>\n                    <jats:italic>Staphylococcus aureus<\/jats:italic>\n                    is a common Gram\u2010positive bacterium that colonizes the skin and mucous membranes of humans. It is a major etiological agent of nosocomial infections and a persistent source of contamination in food and hospitals. The complete sequencing of the\n                    <jats:italic>S. aureus<\/jats:italic>\n                    genome has been accomplished, yet numerous hypothetical proteins encoded within it remain functionally uncharacterized. For this study, we performed a comprehensive functional and structural analysis of a hypothetical protein (accession number OHS92176.1) from the\n                    <jats:italic>S. aureus<\/jats:italic>\n                    HMSC77A05 strain using bioinformatics approaches. Physicochemical investigations showed that the protein is stable, soluble, and cytosolic. Functional annotation using NCBI Conserved Domain Search, InterProScan, and Pfam databases identified that the protein is a member of the YqeG family of HAD IIIA\u2010type phosphatases within the haloacid dehalogenase (HAD) superfamily. Multiple sequence alignment showed that many strains of\n                    <jats:italic>S. aureus<\/jats:italic>\n                    are very similar in their evolution, indicating that they are likely important for their function. Both PSIPRED and SOPMA consistently predicted that\n                    <jats:italic>\u03b1<\/jats:italic>\n                    \u2010helical elements are the most common part of the secondary structure of proteins. A three\u2010dimensional model was constructed using SWISS\u2010MODEL and template A0A2C6WKT6.1.A, exhibiting 71.43% sequence identity with the target protein. The model quality underwent validation using ERRAT, Verify3D, QMEAN, and PROCHECK analyses, all of which affirmed its structural reliability and stereochemical accuracy. STRING\u2032s study of protein\u2013protein interactions found associations with enzymes involved in ribosomes, amino acid biosynthesis, and nucleotide catabolism. It was also discovered that the active site has four putative catalytic pockets. Molecular docking simulations were subsequently conducted using six phytocompound ligands\u2014quercetin, kaempferol, naringenin, apigenin, catechin, and curcumin\u2014all of which demonstrated favorable binding affinities. Notably, kaempferol exhibited the highest binding affinity (\n                    <jats:italic>\u0394G<\/jats:italic>\n                    \u2009=\u2009\u22128.3\u2009kcal\/mol). These findings indicate that this previously uncharacterized hypothetical protein may serve as a promising therapeutic target for an antibacterial agent against\n                    <jats:italic>S. aureus<\/jats:italic>\n                    . The comprehensive computational analyses provide a robust foundation for subsequent experimental validation and structure\u2010based drug development.\n                  <\/jats:p>","DOI":"10.1155\/bmri\/1109584","type":"journal-article","created":{"date-parts":[[2026,6,8]],"date-time":"2026-06-08T06:23:26Z","timestamp":1780899806000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Bioinformatics Approaches for Functional and Structural Annotation and Molecular Docking Study of a Hypothetical Protein From\n                    <i>Staphylococcus aureus<\/i>"],"prefix":"10.1155","volume":"2026","author":[{"ORCID":"https:\/\/orcid.org\/0009-0001-9429-0306","authenticated-orcid":false,"given":"Mehedi Hasan","family":"Chowdhury","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5470-9328","authenticated-orcid":false,"given":"Md. Reaz","family":"Morshed","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0009-5828-736X","authenticated-orcid":false,"given":"Mohammad Jane","family":"Alam","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0006-2345-4250","authenticated-orcid":false,"given":"Sazzad","family":"Hossain","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0004-1866-1496","authenticated-orcid":false,"given":"Hasna","family":"Hena","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2026,6,7]]},"reference":[{"key":"e_1_2_12_1_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.jiph.2015.03.007"},{"key":"e_1_2_12_2_2","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkh885"},{"key":"e_1_2_12_3_2","doi-asserted-by":"publisher","DOI":"10.2174\/1389557522666220413102107"},{"key":"e_1_2_12_4_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.tibs.2004.07.008"},{"key":"e_1_2_12_5_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2006.06.049"},{"key":"e_1_2_12_6_2","doi-asserted-by":"publisher","DOI":"10.1042\/BCJ20230057"},{"key":"e_1_2_12_7_2","first-page":"1","article-title":"Review on Staphylococcus aureus","volume":"1","author":"Fayisa W. 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H.","year":"2020","journal-title":"Pakistan Journal of Pharmaceutical Sciences"}],"container-title":["BioMed Research International"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/pdf\/10.1155\/bmri\/1109584","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/full-xml\/10.1155\/bmri\/1109584","content-type":"application\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/pdf\/10.1155\/bmri\/1109584","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,6,8]],"date-time":"2026-06-08T06:23:30Z","timestamp":1780899810000},"score":1,"resource":{"primary":{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/10.1155\/bmri\/1109584"}},"subtitle":[],"editor":[{"given":"Baisakhi","family":"Banerjee","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"editor"}]}],"short-title":[],"issued":{"date-parts":[[2026,1]]},"references-count":63,"journal-issue":{"issue":"1","published-print":{"date-parts":[[2026,1]]}},"alternative-id":["10.1155\/bmri\/1109584"],"URL":"https:\/\/doi.org\/10.1155\/bmri\/1109584","archive":["Portico"],"relation":{},"ISSN":["2314-6133","2314-6141"],"issn-type":[{"value":"2314-6133","type":"print"},{"value":"2314-6141","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,1]]},"assertion":[{"value":"2026-01-03","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2026-05-22","order":2,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2026-06-07","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}],"article-number":"1109584"}}