{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,28]],"date-time":"2026-06-28T23:08:50Z","timestamp":1782688130456,"version":"3.54.5"},"reference-count":34,"publisher":"Wiley","issue":"8","license":[{"start":{"date-parts":[[2021,4,30]],"date-time":"2021-04-30T00:00:00Z","timestamp":1619740800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"funder":[{"DOI":"10.13039\/501100007613","name":"Majmaah University","doi-asserted-by":"publisher","award":["RGP\u20102019\u201031"],"award-info":[{"award-number":["RGP\u20102019\u201031"]}],"id":[{"id":"10.13039\/501100007613","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["analyticalsciencejournals.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Drug Development Research"],"published-print":{"date-parts":[[2021,12]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>Leishmaniasis is a vector\u2010borne disease caused by around 20 species of <jats:italic>Leishmania<\/jats:italic>. The main clinical forms of leishmaniasis are cutaneous leishmaniasis (CL) and visceral leishmaniasis (VL). VL is caused by <jats:italic>Leishmania infantum<\/jats:italic> in Central and South America, Mediterranean Basin, Middle East, and by <jats:italic>L. donovani<\/jats:italic> in Asia and Africa. Sterol C\u201024 methyltransferase (<jats:italic>Ld<\/jats:italic>SMT) of <jats:italic>L. donovani<\/jats:italic> is a transferase enzyme of the sterol biosynthesis pathway. This pathway is one of the major targets for drug developments in Leishmania. Due to insufficient evidence about the exact function of SMT inside the cell and the uniqueness of the SMT enzyme in the <jats:italic>Leishmania<\/jats:italic> parasites made it a significant target for an effective drug development approach. We performed virtual screening of the Food and Drug Administration (FDA)\u2010approved drug library against <jats:italic>Ld<\/jats:italic>SMT and found simeprevir, an antiviral drug on top in the binding score. It showed a significant binding affinity with <jats:italic>Ld<\/jats:italic>SMT. The binding was supported by hydrogen bonds and several other interactions. Simeprevir inhibited <jats:italic>L. donovani<\/jats:italic> growth of promastigotes with 50% inhibitory concentration (IC<jats:sub>50<\/jats:sub>) of 51.49\u2009\u00b1\u20095.87\u2009\u03bcM. Further studies showed that simeprevir induced ROS generation in 44.7% of parasites at 125\u2010\u03bcM concentration. Here, we for the first time reported simeprevir as an antileishmanial lead molecule using a drug repurposing approach.<\/jats:p>","DOI":"10.1002\/ddr.21820","type":"journal-article","created":{"date-parts":[[2021,4,30]],"date-time":"2021-04-30T11:22:31Z","timestamp":1619781751000},"page":"1154-1161","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":22,"title":["Repurposing of <scp>FDA<\/scp>\u2010approved drugs as inhibitors of sterol C\u201024 methyltransferase of <i>Leishmania donovani<\/i> to fight against leishmaniasis"],"prefix":"10.1002","volume":"82","author":[{"given":"Shams","family":"Tabrez","sequence":"first","affiliation":[{"name":"Infection and Immunity Lab (414), Department of Biotechnology Jamia Millia Islamia (A Central University)  New Delhi India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Fazlur","family":"Rahman","sequence":"additional","affiliation":[{"name":"Infection and Immunity Lab 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