biostudies-literatureGonzalez-Morales LDSecretaria de Investigacion y Posgrado del Instituto Politecnico Nacional2046https://www.ebi.ac.uk/biostudies/studies/S-EPMC10458937biostudies-literatureUnknown15(8)Cutaneous leishmaniasis (CL) is a public health problem affecting more than 98 countries worldwide. No vaccine is available to prevent the disease, and available medical treatments cause serious side effects. Additionally, treatment failure and parasite resistance have made the development of new drugs against CL necessary. In this work, a virtual screening of natural products from the BIOFACQUIM and Selleckchem databases was performed using the method of molecular docking at the triosephosphate isomerase (TIM) enzyme interface of <i>Leishmania mexicana</i> (<i>L</i>. <i>mexicana</i>). Finally, the in vitro leishmanicidal activity of selected compounds against two strains of <i>L</i>. <i>mexicana</i>, their cytotoxicity, and selectivity index were determined. The top ten compounds were obtPharmaceuticsTriose Phosphate Isomerase Structure-Based Virtual Screening and In Vitro Biological Activity of Natural Products as <i>Leishmania mexicana</i> Inhibitors.PMC1045893720230935Gonzalez-Morales LDDelgado-Maldonado TOrtiz-Perez EMeza PYepez-Mulia LRivera GLara-Ramirez EEMoreno-Rodriguez APaz-Gonzalez ADVazquez-Jimenez LKJuarez-Saldivar AfalseTriose Phosphate Isomerase Structure-Based Virtual Screening and In Vitro Biological Activity of Natural Products as <i>Leishmania mexicana</i> Inhibitors.Cutaneous leishmaniasis (CL) is a public health problem affecting more than 98 countries worldwide. No vaccine is available to prevent the disease, and available medical treatments cause serious side effects. Additionally, treatment failure and parasite resistance have made the development of new drugs against CL necessary. In this work, a virtual screening of natural products from the BIOFACQUIM and Selleckchem databases was performed using the method of molecular docking at the triosephosphate isomerase (TIM) enzyme interface of <i>Leishmania mexicana</i> (<i>L</i>. <i>mexicana</i>). Finally, the in vitro leishmanicidal activity of selected compounds against two strains of <i>L</i>. <i>mexicana</i>, their cytotoxicity, and selectivity index were determined. The top ten compounds were obt2023-01-01T00:00:00Z2023 Jul2026-04-08T12:43:02.62Z2025-04-07T10:19:19.091ZS-EPMC104589373763126010.3390/pharmaceutics15082046