{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,24]],"date-time":"2026-09-24T05:14:22Z","timestamp":1790226862345,"version":"4.1.0"},"reference-count":56,"publisher":"Wiley","issue":"12","license":[{"start":{"date-parts":[[2025,9,2]],"date-time":"2025-09-02T00:00:00Z","timestamp":1756771200000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"},{"start":{"date-parts":[[2025,9,2]],"date-time":"2025-09-02T00:00:00Z","timestamp":1756771200000},"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":[[2025,12]]},"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:p>\n                    <jats:italic>Ipomoea obscura<\/jats:italic>\n                    (L.), a medicinal plant from the Convolvulaceae family, has been traditionally used to treat various ailments. This study evaluated the in vitro cytotoxicity of its ethanolic leaf extract against human bladder cancer T24 cells and investigated its phytochemical constituents through computational methods. The extract exhibited dose\u2010dependent cytotoxicity with an IC\n                    <jats:sub>50<\/jats:sub>\n                    of 82.10\u00a0\u00b5g\/mL, comparable to doxorubicin (75.04\u00a0\u00b5g\/mL). Among 35 screened phytocompounds, kaempferol, oleic acid, and ursodeoxycholic acid showed strong binding affinity toward carbonic anhydrase IX (CA IX), with Glide docking scores ranging from \u22128.86 to \u22126.96\u00a0kcal\/mol. These compounds formed stable Zn\n                    <jats:sup>2+<\/jats:sup>\n                    coordination and hydrogen\u2010bonding interactions within the CA IX active site. Molecular dynamics simulations confirmed the stability of the ligand\u2013protein complexes, and MM\/GBSA analysis revealed favourable binding free energies. These findings indicate that the ethanolic leaf extract of\n                    <jats:italic>I. obscura<\/jats:italic>\n                    possesses anticancer activity against bladder cancer cells, potentially mediated through CA IX inhibition. Kaempferol, oleic acid, and ursodeoxycholic acid are likely contributors and warrant further investigation for their therapeutic potential in cancer treatment.\n                  <\/jats:p>","DOI":"10.1002\/cbdv.202500909","type":"journal-article","created":{"date-parts":[[2025,9,2]],"date-time":"2025-09-02T19:50:05Z","timestamp":1756842605000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":13,"title":["Harnessing Nature: Computational and Experimental Insights Into\n                    <i>Ipomoea obscura<\/i>\n                    Metabolites for Bladder Cancer Therapy"],"prefix":"10.1002","volume":"22","author":[{"given":"Saravana Prabha","family":"Poochi","sequence":"first","affiliation":[{"name":"Department of Biochemistry Karpagam Academy of Higher Education  Coimbatore India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Rajamanikandan","family":"Sundarraj","sequence":"additional","affiliation":[{"name":"Tianjin Key Laboratory For Modern Drug Delivery &amp; High\u2010Efficiency, State Key Laboratory of Synthetic Biology and Frontiers Science Center for Synthetic Biology, School of Pharmaceutical Science and Technology, Faculty of Medicine Tianjin University  Tianjin China"},{"name":"Centre For Bioinformatics Karpagam Academy of Higher Education  Coimbatore India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Manikandan Vani","family":"Raju","sequence":"additional","affiliation":[{"name":"Department of Biochemistry Karpagam Academy of Higher Education  Coimbatore India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Meenakshi","family":"Kaniyur Chandrasekaran","sequence":"additional","affiliation":[{"name":"Department of Biochemistry Karpagam Academy of Higher Education  Coimbatore India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Rathi","family":"Muthaiyan Ahalliya","sequence":"additional","affiliation":[{"name":"Department of Biochemistry Karpagam Academy of Higher Education  Coimbatore India"},{"name":"Department of Biotechnology Karpagam Academy of Higher Education  Coimbatore India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Chella Perumal","family":"Palanisamy","sequence":"additional","affiliation":[{"name":"Department of Dermatology Saveetha Medical College &amp; Hospital, Saveetha Institute of Medical and Technical Sciences (SIMATS)  Chennai India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2097-1424","authenticated-orcid":false,"given":"Gopalakrishnan","family":"Velliyur Kanniappan","sequence":"additional","affiliation":[{"name":"Department of Physiology Saveetha Medical College &amp; Hospital, Saveetha Institute of Medical and Technical Sciences (SIMATS)  Chennai India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Benod Kumar","family":"Kondapavuluri","sequence":"additional","affiliation":[{"name":"Department of Surgical Oncology Dr. D.Y. Patil Medical College, Hospital and Research Centre Pimpri Pune India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0986-5484","authenticated-orcid":false,"given":"Muthu","family":"Thiruvengadam","sequence":"additional","affiliation":[{"name":"Department of Crop Science, College of Sanghuh Life Science Konkuk University  Seoul Republic of Korea"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2025,9,2]]},"reference":[{"key":"e_1_2_9_2_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.fbio.2024.105604"},{"key":"e_1_2_9_3_1","doi-asserted-by":"publisher","DOI":"10.1002\/cbdv.202402802"},{"key":"e_1_2_9_4_1","doi-asserted-by":"publisher","DOI":"10.1007\/s13237-022-00405-3"},{"key":"e_1_2_9_5_1","doi-asserted-by":"publisher","DOI":"10.1002\/jbt.23861"},{"key":"e_1_2_9_6_1","doi-asserted-by":"publisher","DOI":"10.1002\/jbt.23798"},{"key":"e_1_2_9_7_1","doi-asserted-by":"publisher","DOI":"10.3389\/fphar.2021.809308"},{"key":"e_1_2_9_8_1","doi-asserted-by":"publisher","DOI":"10.3390\/ijms232415765"},{"key":"e_1_2_9_9_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.fbio.2024.105159"},{"key":"e_1_2_9_10_1","doi-asserted-by":"publisher","DOI":"10.1002\/bab.2432"},{"key":"e_1_2_9_11_1","doi-asserted-by":"publisher","DOI":"10.4103\/jpbs.jpbs_587_23"},{"key":"e_1_2_9_12_1","doi-asserted-by":"publisher","DOI":"10.1186\/s12939-023-02084-1"},{"key":"e_1_2_9_13_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41389-023-00489-9"},{"key":"e_1_2_9_14_1","first-page":"41","article-title":"Radical Cystectomy in the Treatment of Invasive Bladder Cancer: Long\u2010Term Results in 1,054 Patients","volume":"22","author":"Stein J. 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