{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,10]],"date-time":"2026-06-10T15:21:19Z","timestamp":1781104879736,"version":"3.54.1"},"reference-count":25,"publisher":"Wiley","issue":"1","license":[{"start":{"date-parts":[[2024,1,4]],"date-time":"2024-01-04T00:00:00Z","timestamp":1704326400000},"content-version":"vor","delay-in-days":3,"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":[[2024,1]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>Candidiasis is one of the most serious microbial infections in the world. One of the main virulence factors for <jats:italic>Candida albicans<\/jats:italic> is the crucial secretion of aspartic proteases (Saps). Saps are hydrolytic enzymes that play a major role in many fungal pathophysiological processes as well as in many levels of the associations between the fungus and its host. In this work, we report on the synthesis, characterization, and anti\u2010candida agent evaluation of a family of 13 imidazolidine\u2010based aspartate protease inhibitors. <jats:italic>In vitro<\/jats:italic> and <jats:italic>in silico<\/jats:italic> enzyme inhibition studies have confirmed these compounds\u2032 ability to inhibit fungal aspartate protease. Based on the molecular mechanistic value scores from molecular docking and MD simulations, we selected the top compounds <jats:bold>5b<\/jats:bold> (binding energy \u221213.90\u2005kcal\/mol) and <jats:bold>5m<\/jats:bold> (binding energy \u221212.94\u2005kcal\/mol) from among <jats:bold>5a<\/jats:bold>\u2013<jats:bold>l<\/jats:bold> based on the molecular mechanistic value scores from molecular docking and MD simulations for use in <jats:italic>in\u2005vitro<\/jats:italic> validations. In the results, imidazolidine derivatives showed strong aspartic protease inhibition activity. In conclusion, compounds <jats:bold>5b<\/jats:bold> and <jats:bold>5m<\/jats:bold> were found as potent anti\u2010candida agents and screened for further pre\u2010clinical and clinical validations.<\/jats:p>","DOI":"10.1002\/cbdv.202301276","type":"journal-article","created":{"date-parts":[[2024,1,4]],"date-time":"2024-01-04T18:16:35Z","timestamp":1704392195000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":5,"title":["Anticandidal Effect of New Imidazole Derivatives Over Aspartic Protease Inhibition"],"prefix":"10.1002","volume":"21","author":[{"given":"Jeevitha","family":"S","sequence":"first","affiliation":[{"name":"Department Biochemistry M S Ramaiah College of Arts, Science and Commerce  Bangalore 54 Karnataka India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Manikandan","family":"A","sequence":"additional","affiliation":[{"name":"Department of Microbiology M S Ramaiah College of Arts, Science and Commerce  Bangalore 54 Karnataka India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Pavan","family":"P","sequence":"additional","affiliation":[{"name":"Department of Humanities and Basic Sciences G. Pulla Reddy Engineering College  Kurnool 518007 India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Rubalakshmi","family":"G","sequence":"additional","affiliation":[{"name":"Department of Biotechnology Vinayaka Missions Kirupananda Variyar Engineering College  Salem 08 India"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2024,1,4]]},"reference":[{"key":"e_1_2_7_1_1","doi-asserted-by":"publisher","DOI":"10.4331\/wjbc.v2.i3.48"},{"key":"e_1_2_7_2_1","doi-asserted-by":"publisher","DOI":"10.2174\/138955713804484802"},{"key":"e_1_2_7_3_1","doi-asserted-by":"publisher","DOI":"10.2174\/1389203717666160809155749"},{"key":"e_1_2_7_4_1","doi-asserted-by":"publisher","DOI":"10.1590\/S1517-838246220140359"},{"key":"e_1_2_7_5_1","doi-asserted-by":"publisher","DOI":"10.3109\/1040841X.2011.577029"},{"key":"e_1_2_7_6_1","doi-asserted-by":"publisher","DOI":"10.1080\/713609213"},{"key":"e_1_2_7_7_1","doi-asserted-by":"publisher","DOI":"10.1002\/ardp.200700267"},{"key":"e_1_2_7_8_1","doi-asserted-by":"publisher","DOI":"10.1515\/BC.2004.134"},{"key":"e_1_2_7_9_1","doi-asserted-by":"publisher","DOI":"10.3923\/pjbs.2011.1076.1089"},{"key":"e_1_2_7_10_1","doi-asserted-by":"publisher","DOI":"10.1002\/cmdc.201800686"},{"key":"e_1_2_7_11_1","doi-asserted-by":"publisher","DOI":"10.3109\/14756366.2015.1069287"},{"key":"e_1_2_7_12_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0169-409X(00)00129-0"},{"key":"e_1_2_7_13_1","doi-asserted-by":"publisher","DOI":"10.1046\/j.1469-0691.2003.00789.x"},{"key":"e_1_2_7_14_1","doi-asserted-by":"publisher","DOI":"10.1055\/s-2006-957563"},{"key":"e_1_2_7_15_1","doi-asserted-by":"publisher","DOI":"10.1021\/bi010594y"},{"key":"e_1_2_7_16_1","author":"Ajitha G.","year":"2022","journal-title":"Anti-Cancer Agents Med. 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