{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,11]],"date-time":"2026-01-11T12:00:12Z","timestamp":1768132812651,"version":"3.49.0"},"reference-count":46,"publisher":"Wiley","issue":"2","license":[{"start":{"date-parts":[[2024,1,19]],"date-time":"2024-01-19T00:00:00Z","timestamp":1705622400000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Chemistry &amp; Biodiversity"],"published-print":{"date-parts":[[2024,2]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p><jats:italic>Clostridium perfringens<\/jats:italic> (<jats:italic>C. perfringens<\/jats:italic>) is a bacterium that causes serious problems in humans and animals such as food poisoning, gas gangrene and infections. <jats:italic>C. perfringens<\/jats:italic> has three sialidases (NanH, NanI, NanJ) and inhibition of NanI constitutes an approach in the treatment of <jats:italic>C. perfringens<\/jats:italic> since NanI provides the carbohydrate source necessary for the growth of bacteria. In our study, the inhibition effect of some drugs belonging to different drug groups on NanI activity was investigated. Among these drugs, orlistat (0.21\u00b10.05\u2005\u03bcM) was determined to have a lower IC<jats:sub>50<\/jats:sub> value than the positive control quercetin (15.58\u00b11.59\u2005\u03bcM). It was determined in\u2005vitro by spectrofluorometric method. Additionally, NanI molecular docking studies with orlistatand quercetin were performed using iGemdock, DockThor and SwissDock. Orlistat (\u221293.93, \u22128.649 and \u221210.03\u2005kcal\/mol, respectively) was found to have a higher binding affinity than quercetin (\u221292.68, \u22127.491 and \u22128.70\u2005kcal\/mol, respectively), and the results were in line with <jats:italic>in\u2005vitro<\/jats:italic> studies. The results may suggest that orlistat is a molecule with drug potential for <jats:italic>C. perfringens<\/jats:italic> because it inhibits the drug target NanI, and that the inhibition efficiency can be increased by studies with orlistat derivatives.<\/jats:p>","DOI":"10.1002\/cbdv.202301634","type":"journal-article","created":{"date-parts":[[2023,12,29]],"date-time":"2023-12-29T09:59:19Z","timestamp":1703843959000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["The evaluations of the inhibition of orlistat on Clostridium perfringens sialidase (NanI) activity by <i>in\u2005vitro<\/i> and <i>in silico<\/i> approaches"],"prefix":"10.1002","volume":"21","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-5437-3513","authenticated-orcid":false,"given":"Onur","family":"Ertik","sequence":"first","affiliation":[{"name":"Department of Chemistry Faculty of Engineering Istanbul University-Cerrahpa\u015fa  Avcilar Istanbul Turkey"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Refiye","family":"Yanardag","sequence":"additional","affiliation":[{"name":"Department of Chemistry Faculty of Engineering Istanbul University-Cerrahpa\u015fa  Avcilar Istanbul Turkey"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2024,1,19]]},"reference":[{"key":"e_1_2_8_1_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41426-018-0144-8"},{"key":"e_1_2_8_2_1","doi-asserted-by":"publisher","DOI":"10.1111\/j.1462-5822.2012.01807.x"},{"key":"e_1_2_8_3_1","doi-asserted-by":"publisher","DOI":"10.3390\/toxins8110341"},{"key":"e_1_2_8_4_1","doi-asserted-by":"publisher","DOI":"10.2174\/1875414701003020024"},{"key":"e_1_2_8_5_1","doi-asserted-by":"publisher","DOI":"10.2217\/fmb.13.168"},{"key":"e_1_2_8_6_1","doi-asserted-by":"publisher","DOI":"10.1042\/BST20150226"},{"key":"e_1_2_8_7_1","doi-asserted-by":"publisher","DOI":"10.3389\/fcimb.2019.00462"},{"key":"e_1_2_8_8_1","doi-asserted-by":"publisher","DOI":"10.3390\/toxins8110341"},{"key":"e_1_2_8_9_1","doi-asserted-by":"publisher","DOI":"10.1016\/0043-1354(89)90043-2"},{"key":"e_1_2_8_10_1","doi-asserted-by":"publisher","DOI":"10.1155\/2014\/502618"},{"key":"e_1_2_8_11_1","first-page":"104","volume":"4","author":"Hailegebreal G.","year":"2017","journal-title":"J. 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