{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,11]],"date-time":"2026-04-11T07:00:39Z","timestamp":1775890839770,"version":"3.50.1"},"reference-count":73,"publisher":"Wiley","issue":"2","license":[{"start":{"date-parts":[[2026,2,16]],"date-time":"2026-02-16T00:00:00Z","timestamp":1771200000000},"content-version":"vor","delay-in-days":15,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"},{"start":{"date-parts":[[2026,2,1]],"date-time":"2026-02-01T00:00:00Z","timestamp":1769904000000},"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":["Chemistry &amp;amp; Biodiversity"],"published-print":{"date-parts":[[2026,2]]},"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:p>\n                    In this work, we report a novel series\u00a0of 5\u2010(substituted)\u20101,5\u2010dihydro\u20102\n                    <jats:italic>H<\/jats:italic>\n                    \u2010chromeno[2,3\u2010d]pyrimidine\u20102,4(3\n                    <jats:italic>H<\/jats:italic>\n                    )\u2010dione derivatives\n                    <jats:bold>4(a\u2013e)\u00a0<\/jats:bold>\n                    and\n                    <jats:bold>5(a\u2013d)\u00a0<\/jats:bold>\n                    by a one\u2010pot three\u2010component reaction of\u00a0barbituric\/1,3\u2010dimethyl barbituric acid, substituted salicylaldehyde, and 4\u2010hydroxy\u20106\u2010methyl\u20102\u2010pyrone\/2\u2010hydroxy\u20101,4\u2010naphthoquinone. The structures of the target compounds were precisely established\u00a0using different spectroscopic (FT\u2010IR, NMR, and HRMS) studies. Through density functional theory (DFT) analysis,\u00a0geometrical optimization,\u00a0frontier molecular orbitals,\u00a0molecular electrostatic potential regions, and quantum chemical parameters\u00a0were\u00a0assessed to explore the electronic properties of the synthesized molecules. The synthesized compounds were screened for their\u00a0efficacy in combating\n                    <jats:italic>M. tuberculosis<\/jats:italic>\n                    using the MABA assay; compounds\n                    <jats:bold>5(a\u2013d)\u00a0<\/jats:bold>\n                    containing 2\u2010hydroxy\u20101,4\u2010naphthoquinone exhibited excellent antitubercular potency with an MIC of 3.12\u00a0\u00b5g\/mL. Additionally, target compounds were evaluated for their in vitro antimicrobial activity against a range of bacterial strains\u00a0(\n                    <jats:italic>S. aureus<\/jats:italic>\n                    ,\n                    <jats:italic>S. mutans<\/jats:italic>\n                    ,\n                    <jats:italic>E. coli<\/jats:italic>\n                    , and\n                    <jats:italic>S. Typhi<\/jats:italic>\n                    ) and a fungal strain (\n                    <jats:italic>A. niger<\/jats:italic>\n                    ). Compounds\n                    <jats:bold>4c<\/jats:bold>\n                    ,\n                    <jats:bold>4d<\/jats:bold>\n                    ,\n                    <jats:bold>5a<\/jats:bold>\n                    , and\n                    <jats:bold>5c\u00a0<\/jats:bold>\n                    exhibited significant antimicrobial activity against the tested pathogens. Further, in silico molecular docking analyses were conducted with the enoyl\u2010ACP reductase (InhA) receptor to elucidate the\u00a0binding interactions\u00a0of the target ligands; compounds\n                    <jats:bold>5a<\/jats:bold>\n                    and\u00a0\n                    <jats:bold>5c<\/jats:bold>\n                    exhibited the highest docking scores of \u221211.0\u00a0kcal\/mol within the active site of InhA.\n                  <\/jats:p>","DOI":"10.1002\/cbdv.202503053","type":"journal-article","created":{"date-parts":[[2026,2,17]],"date-time":"2026-02-17T05:05:47Z","timestamp":1771304747000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Synthesis, Characterization, and Computational Studies of Novel 5\u2010(Substituted)\u20101,5\u2010Dihydro\u20102\n                    <i>H<\/i>\n                    \u2010Chromeno[2,3\u2010d]Pyrimidine\u20102,4(3\n                    <i>H<\/i>\n                    )\u2010Dione Scaffolds as Potent Biological Agents"],"prefix":"10.1002","volume":"23","author":[{"ORCID":"https:\/\/orcid.org\/0009-0002-7787-1835","authenticated-orcid":false,"given":"Vinay","family":"K. K.","sequence":"first","affiliation":[{"name":"Department of P.G. Studies and Research in Chemistry, Jnanasahyadri Kuvempu University  Shivamogga Karnataka India"},{"name":"Department of P.G. Studies in Chemistry I. D. S. G. Govt. College  Karnataka India"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2851-3492","authenticated-orcid":false,"given":"Yadav D.","family":"Bodke","sequence":"additional","affiliation":[{"name":"Department of P.G. Studies and Research in Chemistry, Jnanasahyadri Kuvempu University  Shivamogga Karnataka India"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0009-0007-4312-1717","authenticated-orcid":false,"given":"Shivakumar","family":"Naik","sequence":"additional","affiliation":[{"name":"Organic and Medicinal Chemistry Laboratory Department of Chemistry National Institute of Technology Karnataka  Mangalore Karnataka India"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0493-878X","authenticated-orcid":false,"given":"Udayakumar","family":"Dalimba","sequence":"additional","affiliation":[{"name":"Organic and Medicinal Chemistry Laboratory Department of Chemistry National Institute of Technology Karnataka  Mangalore Karnataka India"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Karunasagar","family":"K. O.","sequence":"additional","affiliation":[{"name":"Department of P.G. Studies and Research in Chemistry, Jnanasahyadri Kuvempu University  Shivamogga Karnataka India"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2026,2,16]]},"reference":[{"key":"e_1_2_10_2_1","doi-asserted-by":"publisher","DOI":"10.2174\/18741045\u2010v16\u2010e2202280"},{"key":"e_1_2_10_3_1","doi-asserted-by":"publisher","DOI":"10.1007\/s10311-021-01232-9"},{"key":"e_1_2_10_4_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.molstruc.2021.131324"},{"key":"e_1_2_10_5_1","doi-asserted-by":"publisher","DOI":"10.1039\/C5RA15900H"},{"key":"e_1_2_10_6_1","doi-asserted-by":"publisher","DOI":"10.1007\/s10008\u2010020\u201004892\u20109"},{"key":"e_1_2_10_7_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.snb.2018.11.111"},{"key":"e_1_2_10_8_1","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2023.2298731"},{"key":"e_1_2_10_9_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.molstruc.2023.135043"},{"key":"e_1_2_10_10_1","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2019.1606735"},{"key":"e_1_2_10_11_1","first-page":"1","article-title":"Biological activity of pyrimidine derivativies: a review","volume":"2","author":"Ajmal Bhat R.","year":"2017","journal-title":"Organic and Medicinal Chemistry"},{"key":"e_1_2_10_12_1","doi-asserted-by":"publisher","DOI":"10.1002\/jhet.4837"},{"key":"e_1_2_10_13_1","doi-asserted-by":"publisher","DOI":"10.2174\/1570179418666210706152515"},{"key":"e_1_2_10_14_1","doi-asserted-by":"publisher","DOI":"10.5267\/j.ccl.2021.8.002"},{"key":"e_1_2_10_15_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.molstruc.2022.133012"},{"key":"e_1_2_10_16_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2016.07.057"},{"key":"e_1_2_10_17_1","doi-asserted-by":"publisher","DOI":"10.2174\/1389557522666220331161636"},{"key":"e_1_2_10_18_1","doi-asserted-by":"publisher","DOI":"10.3389\/fchem.2020.00623"},{"key":"e_1_2_10_19_1","doi-asserted-by":"publisher","DOI":"10.1039\/D2RA07134G"},{"key":"e_1_2_10_20_1","article-title":"Push\u2010pull conjugated chromene\u2010derivatives for potential bio\u2010imaging applications. 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