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Due to less efficacy, adverse side effects, and resistance, the available therapeutic molecules fail to control leishmaniasis. The mitochondrial primase of\n                    <jats:italic>Leishmania donovani<\/jats:italic>\n                    (\n                    <jats:italic>LdmtPRI1<\/jats:italic>\n                    ) is a vital cog in the DNA replication mechanism, as the enzyme initiates the replication of the mitochondrial genome of\n                    <jats:italic>Leishmania donovani<\/jats:italic>\n                    . Hence, we target this protein as a probable drug target against leishmaniasis. The de-novo approach enabled computational prediction of the three-dimensional structure of\n                    <jats:italic>LdmtPRI1<\/jats:italic>\n                    , and its active sites were identified. Ligands from commercially available drug compounds were selected and docked against\n                    <jats:italic>LdmtPRI1<\/jats:italic>\n                    . The compounds were chosen for pharmacokinetic study and molecular dynamics simulation based on their binding energies and protein interactions. The\n                    <jats:italic>LdmtPRI1<\/jats:italic>\n                    gene was cloned, overexpressed, and purified, and a primase activity assay was performed. The selected compounds were verified experimentally by the parasite and primase inhibition assay. Capecitabine was observed to be effective against the promastigote form of\n                    <jats:italic>Leishmania donovani<\/jats:italic>\n                    , as well as inhibiting primase activity. This study's findings suggest capecitabine might be a potential anti-leishmanial drug candidate after adequate further studies.\n                  <\/jats:p>","DOI":"10.1038\/s41598-024-53316-5","type":"journal-article","created":{"date-parts":[[2024,2,8]],"date-time":"2024-02-08T08:03:00Z","timestamp":1707379380000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":10,"title":["Identification of potential inhibitor against Leishmania donovani mitochondrial DNA primase through in-silico and in vitro drug repurposing approaches"],"prefix":"10.1038","volume":"14","author":[{"given":"Mitul","family":"Nath","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Deep","family":"Bhowmik","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Satabdi","family":"Saha","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Rajat","family":"Nandi","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Diwakar","family":"Kumar","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"297","published-online":{"date-parts":[[2024,2,8]]},"reference":[{"key":"53316_CR1","doi-asserted-by":"publisher","first-page":"287","DOI":"10.1186\/s13071-017-2204-7","volume":"10","author":"A Kaufer","year":"2017","unstructured":"Kaufer, A., Ellis, J., Stark, D. & Barratt, J. 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