{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T07:09:33Z","timestamp":1782889773812,"version":"3.54.5"},"reference-count":0,"publisher":"Biomedical Informatics","issue":"03","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Bioinformation"],"published-print":{"date-parts":[[2025,3,31]]},"abstract":"<jats:p>Vitiligo is an acquired depigmentary disorder caused by the absence of melanocytes, affecting 0.1% to 2% of the global population, including both adults and children. Therefore, it is of interest to report the molecular docking analysis of tyrosinase (PDB: 1WX3) with compounds from poly-herbal formulation for vitiligo treatment. Analysis shows that the lead bioactive compounds exhibit binding energies ranging from -3.10 Kcal\/mol to -7.36 Kcal\/mol having 2-6 hydrogen bond interactions with key amino acid residues in the target protein. Beta-sitosterol showed the highest binding affinity (-7.36 Kcal\/mol), followed by Orientin (-7.06 Kcal\/mol), and other compounds such as masilinic acid, luteolin, glycyrrhizin, corilagin, gallic acid, boeravinone B, and trigonelline. Thus, the phytochemicals in the poly-herbal formulation enhance the activity of the tyrosinase enzyme, supporting melanogenesis, making it a potential treatment for vitiligo.<\/jats:p>","DOI":"10.6026\/973206300210369","type":"journal-article","created":{"date-parts":[[2025,4,1]],"date-time":"2025-04-01T10:17:18Z","timestamp":1743502638000},"page":"369-374","source":"Crossref","is-referenced-by-count":1,"title":["Molecular docking analysis of tyrosinase with compounds from poly-herbal formulation for vitiligo treatment"],"prefix":"10.6026","volume":"21","author":[{"name":"Department of Nanju Maruthuvam, National Institute of Siddha, Chennai - 600047, Tamil Nadu, India","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Karpagambal","family":"Ramamoorthy","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Manjari","family":"Venkatraman","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Abarna","family":"Balasubramani","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Raghavi","family":"Marimuthu","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"name":"Department of Nanju Maruthuvam, National Institute of Siddha, Chennai - 600047, Tamil Nadu, India","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Kalaivanan","family":"Karuppan","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"name":"Department of Siddha Medicine, Government Primary Health Centre, Tiruvannamalai, Tamil Nadu, India","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nithyashree","family":"Murugappa","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"name":"Department of Siddha Medicine, BSMS \u2013 II Professional, Nandha Siddha Medicial College and Hospital, Pitchandipalayam, Erode - 638052, Tamil Nadu, India","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"4070","published-online":{"date-parts":[[2025,3,31]]},"container-title":["Bioinformation"],"original-title":[],"deposited":{"date-parts":[[2025,4,1]],"date-time":"2025-04-01T10:17:24Z","timestamp":1743502644000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.bioinformation.net\/021\/973206300210369.htm"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,3,31]]},"references-count":0,"journal-issue":{"issue":"03","published-online":{"date-parts":[[2025,3,31]]},"published-print":{"date-parts":[[2025,3,31]]}},"URL":"https:\/\/doi.org\/10.6026\/973206300210369","relation":{},"ISSN":["0973-8894","0973-2063"],"issn-type":[{"value":"0973-8894","type":"print"},{"value":"0973-2063","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,3,31]]}}}