{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,21]],"date-time":"2026-10-21T17:14:28Z","timestamp":1792602868375,"version":"4.5.0"},"reference-count":64,"publisher":"Wiley","issue":"11","license":[{"start":{"date-parts":[[2025,7,21]],"date-time":"2025-07-21T00:00:00Z","timestamp":1753056000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"},{"start":{"date-parts":[[2025,7,21]],"date-time":"2025-07-21T00:00:00Z","timestamp":1753056000000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"funder":[{"DOI":"10.13039\/501100006191","name":"Eski\u015fehir Osmangazi \u00dcniversitesi","doi-asserted-by":"publisher","award":["FCD\u20102023\u20102611"],"award-info":[{"award-number":["FCD\u20102023\u20102611"]}],"id":[{"id":"10.13039\/501100006191","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Chemistry &amp;amp; Biodiversity"],"published-print":{"date-parts":[[2025,11]]},"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:p>\n                    This study explores the anti\u2010inflammatory potential of iodobenzofuran derivatives using both in vivo and in silico approaches. The five derivatives tested (\n                    <jats:bold>2a\u2013e<\/jats:bold>\n                    ) revealed high activity, particularly compounds\n                    <jats:bold>2b<\/jats:bold>\n                    and\n                    <jats:bold>2c<\/jats:bold>\n                    , which had vigorous anti\u2010inflammatory activity, surpassing the reference drug, diclofenac (DCF). In silico analyses supported the study, including ADMET (absorption, distribution, metabolism, excretion, and toxicity) profiling, molecular docking, molecular dynamics simulations, and density functional theory (DFT). These computational results aligned with experimental outcomes, providing insights into the interactions of iodobenzofurans with cyclooxygenase\u20101 (COX\u20101) and COX\u20102. The ADMET analysis confirmed favorable pharmacokinetic properties for all compounds. Molecular docking revealed binding energies between \u22128.37 and \u221210.94\u00a0kJ\/mol for COX\u20101 and between \u22128.08 and \u22129.67\u00a0kJ\/mol for COX\u20102, compared to \u22127.69 and \u22125.84\u00a0kJ\/mol, respectively, for DCF. Molecular dynamics simulations supported the stability of the compound\u2010protein complexes. The DFT results further confirmed the potential of the derivatives, indicating favorable electronic properties such as optimal highest occupied molecular orbital (HOMO)\u2013lowest unoccupied molecular orbital (LUMO) energy gaps, which reflect the stability and reactivity of the compounds, and suggest strong interactions with the target proteins. The in vivo anti\u2010inflammatory activity was evaluated using the carrageenan\u2010induced edema model over a period of 4\u00a0h. Results from the assay demonstrated that compounds\n                    <jats:bold>2b<\/jats:bold>\n                    and\n                    <jats:bold>2c<\/jats:bold>\n                    exhibited higher inhibition rates than DCF, particularly at the early phase (30\u201390\u00a0min). This superiority was kept until 240\u00a0min. Furthermore, the absence of an acidic group is an additional advantage for these target compounds, indicating they will lack gastrointestinal irritant side effects typically associated with most non\u2010steroidal anti\u2010inflammatory agents. By integrating experimental and computational methodologies, this work comprehensively assesses iodobenzofurans, highlighting their potential as effective and safer therapeutic agents for chronic inflammatory diseases. Further investigations should involve a larger series of derivatives and be backed by experimental pharmacokinetic studies.\n                  <\/jats:p>","DOI":"10.1002\/cbdv.202500895","type":"journal-article","created":{"date-parts":[[2025,7,21]],"date-time":"2025-07-21T17:20:17Z","timestamp":1753118417000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":9,"title":["Evaluation of the Anti\u2010Inflammatory Activity of Iodo Benzofuran Derivatives: In Vivo and In Silico Studies"],"prefix":"10.1002","volume":"22","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-8741-182X","authenticated-orcid":false,"given":"Bassam A.","family":"Najri","sequence":"first","affiliation":[{"name":"Department of Chemistry, Faculty of Sciences Eskisehir Osmangazi University  Eskisehir Turkey"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Katia Mohand","family":"Saidi","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Faculty of Sciences Eskisehir Osmangazi University  Eskisehir Turkey"},{"name":"Laboratory of Phytochemistry and Pharmacology, Team of Pharmaceutical Chemistry and Drug Ruality Control, Faculty of Exact Sciences and Informatics University of Jijel  Jijel Algeria"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Abdelmadjid","family":"Guendouzi","sequence":"additional","affiliation":[{"name":"Higher Normal School (ENS)  Constantine Algeria"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Smail","family":"Khelili","sequence":"additional","affiliation":[{"name":"Laboratory of Phytochemistry and Pharmacology, Team of Pharmaceutical Chemistry and Drug Ruality Control, Faculty of Exact Sciences and Informatics University of Jijel  Jijel Algeria"},{"name":"Department of Chemistry, Faculty of Exact Sciences and Informatics University of Mohamed Seddik Ben Yahia\u2014Jijel  Jijel Algeria"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4770-2686","authenticated-orcid":false,"given":"Arif","family":"Kivrak","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Faculty of Sciences Eskisehir Osmangazi University  Eskisehir Turkey"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2025,7,21]]},"reference":[{"key":"e_1_2_9_2_1","doi-asserted-by":"publisher","DOI":"10.2174\/1389201011208062456"},{"key":"e_1_2_9_3_1","volume-title":"Foye's Principles of Medicinal Chemistry","author":"Foye W. 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