{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,17]],"date-time":"2026-08-17T14:35:43Z","timestamp":1786977343429,"version":"build-2736575974"},"reference-count":46,"publisher":"Wiley","issue":"12","license":[{"start":{"date-parts":[[2024,10,18]],"date-time":"2024-10-18T00:00:00Z","timestamp":1729209600000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"},{"start":{"date-parts":[[2024,10,18]],"date-time":"2024-10-18T00:00:00Z","timestamp":1729209600000},"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":[[2024,12]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>\n                    Tyrosinase, a metalloprotein enzyme, plays a crucial role in melanin synthesis by hydroxylating L\u2010tyrosine to L\u2010dopa. However, the accumulation of melanin can lead to hyperpigmented spots, raising\n                    <jats:bold>aesthetic<\/jats:bold>\n                    concerns. In this study, we developed a pipeline to repurpose FDA\u2010approved drugs as potential tyrosinase inhibitors. A structure\u2010based screening study was conducted using 1,650 drugs to identify probable inhibitors based on binding energies. From the cluster analysis of binding interaction profiles, 16 compounds were selected as candidates. Montelukast emerged as the final candidate due to its favorable ADME properties. Bioassay evaluation revealed an IC50 value of 14.79\u00b10.87\u2005\u03bcM for Montelukast, compared to kojic acid (IC50=31.02\u00b12.01\u2005\u03bcM). Molecular dynamics simulation and g_MMPBSA free energy calculation studies were performed for the Tyrosinase\u2010Montelukast complex. These findings enhance our understanding of Tyrosinase\u2010Montelukast interactions and underscore Montelukast's potential as a tyrosinase inhibitor. This could have implications in dermatological applications and beyond, suggesting Montelukast as a promising candidate for further development in this regard.\n                  <\/jats:p>","DOI":"10.1002\/cbdv.202401035","type":"journal-article","created":{"date-parts":[[2024,8,14]],"date-time":"2024-08-14T22:20:07Z","timestamp":1723674007000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":8,"title":["A Repurposing Pipeline to Candidate\u2010Suitable Inhibitors of Tyrosinase: Computational and Bioassay Studies"],"prefix":"10.1002","volume":"21","author":[{"given":"Maryam","family":"Kabiri","sequence":"first","affiliation":[{"name":"College of Graduate Studies Upstate Medical University State University of New York  USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0005-4722-6503","authenticated-orcid":false,"given":"Mohammad Soroosh","family":"Hajizade","sequence":"additional","affiliation":[{"name":"Department of Medicinal Chemistry School of Pharmacy Shiraz University of Medical Science  PO Box 71345\u20133388 Shiraz Iran"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mina","family":"Zarei","sequence":"additional","affiliation":[{"name":"Department of Medicinal Chemistry School of Pharmacy Shiraz University of Medical Science  PO Box 71345\u20133388 Shiraz Iran"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Simin","family":"Eskandari","sequence":"additional","affiliation":[{"name":"Department of Medicinal Chemistry School of Pharmacy Shiraz University of Medical Science  PO Box 71345\u20133388 Shiraz Iran"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Amirhossein","family":"Sakhteman","sequence":"additional","affiliation":[{"name":"Chair of Bioanalytics TUM School of Life Sciences Technische Universit\u00e4t M\u00fcnchen  Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1458-2964","authenticated-orcid":false,"given":"Mehdi","family":"Khoshneviszadeh","sequence":"additional","affiliation":[{"name":"Medicinal and Natural Products Chemistry Research Center Shiraz University of Medical Sciences  PO Box 71345\u20133388 Shiraz Iran"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2024,10,18]]},"reference":[{"key":"e_1_2_9_1_1","first-page":"267","volume":"261","author":"Merimsky O.","year":"1999","journal-title":"Decade Autoimmun."},{"key":"e_1_2_9_2_1","doi-asserted-by":"publisher","DOI":"10.1007\/s00726-006-0379-x"},{"key":"e_1_2_9_3_1","doi-asserted-by":"publisher","DOI":"10.2174\/0929867330666230203111437"},{"key":"e_1_2_9_4_1","doi-asserted-by":"publisher","DOI":"10.1007\/s10561-023-10081-5"},{"key":"e_1_2_9_5_1","unstructured":"M. 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