{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,23]],"date-time":"2026-09-23T14:03:07Z","timestamp":1790172187905,"version":"4.1.0"},"reference-count":63,"publisher":"Wiley","issue":"7","license":[{"start":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T00:00:00Z","timestamp":1782864000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"},{"start":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T00:00:00Z","timestamp":1782864000000},"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":["Food Science &amp; Nutrition"],"published-print":{"date-parts":[[2026,7]]},"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:p>\n                    <jats:italic>Clerodendrum infortunatum<\/jats:italic>\n                    (Lamiaceae) is commonly employed in traditional healing practices to manage inflammation, fever, pain, and gastrointestinal ailments. Despite its widespread use, there is limited scientific evidence supporting these therapeutic claims and insufficient characterization of its active phytochemicals. This study aimed to investigate the anti\u2010inflammatory, analgesic, antipyretic, and antidiarrheal properties of the methanolic extract (MECI) and n\u2010hexane fraction (NHF) derived from\n                    <jats:italic>C. infortunatum<\/jats:italic>\n                    leaves through integrated in\u00a0vivo and\n                    <jats:italic>in silico<\/jats:italic>\n                    methodologies. Anti\u2010inflammatory activity was evaluated using protein denaturation and carrageenan\u2010induced paw edema models; analgesic effects were assessed via acetic acid\u2010induced writhing and tail immersion tests; antipyretic and antidiarrheal activities were examined using yeast\u2010induced pyrexia and castor oil\u2010induced diarrhea models, respectively. Additionally, molecular docking, ADME\/T (absorption, distribution, metabolism, excretion\/toxicity), DFT, and PASS (Prediction of Activity Spectra for Substances) analyzes were performed to explore the pharmacokinetic profiles and potential molecular targets of the identified compounds. MECI demonstrated strong inhibition of protein denaturation (89.29%) with an IC\u2085\u2080 of 44.10\u2009\u03bcg\/mL, comparable to diclofenac sodium. Both MECI and NHF significantly attenuated carrageenan\u2010induced paw edema and writhing responses in a dose\u2010dependent manner (\n                    <jats:italic>p<\/jats:italic>\n                    \u2009&lt;\u20090.001), increased latency in the tail immersion test, and effectively reduced both yeast\u2010induced fever and castor oil\u2010induced diarrhea. In silico docking revealed that hydrocinnamic acid, o\u2010[(1,2,3,4\u2010tetrahydro\u20102\u2010naphthyl)methyl]\u2010, exhibited high binding affinities for COX\u20102 (\u22129.1) and the M\n                    <jats:sub>3<\/jats:sub>\n                    muscarinic receptor (\u221210.2\u2009kcal\/mol), while ethyl isoallocholate showed notable affinity for mPGES\u20101 (\u22125.6\u2009kcal\/mol). ADME\/T, DFT, and PASS predictions indicated favorable oral bioavailability and low toxicity for the major constituents. The findings substantiate the traditional medicinal uses of\n                    <jats:italic>C. infortunatum<\/jats:italic>\n                    , demonstrating its multi\u2010target pharmacological actions mediated through COX\u20102, mPGES\u20101, and M3 muscarinic receptor pathways. Hydrocinnamic acid derivatives and ethyl isoallocholate emerge as promising candidates for the development of new anti\u2010inflammatory, analgesic, and antipyretic therapeutics.\n                  <\/jats:p>","DOI":"10.1002\/fsn3.72047","type":"journal-article","created":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T20:30:20Z","timestamp":1782937820000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Bioactivity Assessment and In Silico Target Engagement of\n                    <i>Clerodendrum infortunatum<\/i>\n                    Extracts: Correlating Experimental Outcomes With\n                    <scp>DFT<\/scp>\n                    and Docking Predictions"],"prefix":"10.1002","volume":"14","author":[{"ORCID":"https:\/\/orcid.org\/0009-0003-4872-290X","authenticated-orcid":false,"given":"Mohi","family":"Uddin","sequence":"first","affiliation":[{"name":"Department of Pharmacy, Faculty of Biological Sciences University of Chittagong  Chittagong Bangladesh"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0001-7036-5377","authenticated-orcid":false,"given":"Sabikun","family":"Naher","sequence":"additional","affiliation":[{"name":"Department of Pharmacy, Faculty of Biological Sciences University of Chittagong  Chittagong Bangladesh"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0001-9514-1601","authenticated-orcid":false,"given":"Md. Hossain","family":"Rasel","sequence":"additional","affiliation":[{"name":"Department of Pharmacy, Faculty of Biological Sciences University of Chittagong  Chittagong Bangladesh"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0003-1926-6407","authenticated-orcid":false,"given":"Md. Jahirul Islam","family":"Mamun","sequence":"additional","affiliation":[{"name":"Department of Pharmacy, Faculty of Biological Sciences University of Chittagong  Chittagong Bangladesh"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7403-1772","authenticated-orcid":false,"given":"Md. Nazmul","family":"Hasan","sequence":"additional","affiliation":[{"name":"Department of Pharmacy, Faculty of Biological Sciences University of Chittagong  Chittagong Bangladesh"},{"name":"Department of Chemistry and Biochemistry University of Wisconsin\u2010Milwaukee  Milwaukee Wisconsin USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5372-1520","authenticated-orcid":false,"given":"Nazmul Hasan","family":"Eshaque","sequence":"additional","affiliation":[{"name":"Department of Pharmacy, Faculty of Biological Sciences University of Chittagong  Chittagong Bangladesh"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0006-9400-8733","authenticated-orcid":false,"given":"Md. Mahmudul","family":"Hasan","sequence":"additional","affiliation":[{"name":"Department of Pharmacy, Faculty of Biological Sciences University of Chittagong  Chittagong Bangladesh"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2026,7,1]]},"reference":[{"key":"e_1_2_12_2_1","doi-asserted-by":"publisher","DOI":"10.1016\/0039-128X(89)90036-6"},{"key":"e_1_2_12_3_1","doi-asserted-by":"publisher","DOI":"10.1002\/cbdv.202402303"},{"key":"e_1_2_12_4_1","first-page":"1525","article-title":"Modified Kupchan Partition","volume":"52","author":"Beckett M.","year":"1986","journal-title":"Journal of Medicinal Chemistry"},{"key":"e_1_2_12_5_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bcp.2020.114147"},{"key":"e_1_2_12_6_1","doi-asserted-by":"publisher","DOI":"10.1016\/S2221-1691(12)60154-3"},{"key":"e_1_2_12_7_1","doi-asserted-by":"publisher","DOI":"10.4155\/fmc.11.136"},{"key":"e_1_2_12_8_1","doi-asserted-by":"publisher","DOI":"10.31557\/APJCP.2024.25.3.1065"},{"key":"e_1_2_12_9_1","doi-asserted-by":"publisher","DOI":"10.18632\/oncotarget.23208"},{"key":"e_1_2_12_10_1","doi-asserted-by":"publisher","DOI":"10.1097\/01.NUMA.0000512897.68425.e5"},{"key":"e_1_2_12_11_1","doi-asserted-by":"publisher","DOI":"10.1007\/978-1-4939-2269-7_19"},{"key":"e_1_2_12_12_1","doi-asserted-by":"publisher","DOI":"10.5281\/zenodo.13899186"},{"issue":"3","key":"e_1_2_12_13_1","article-title":"Comparative Phytochemical Profiling of Clerodendrum infortunatum L. 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