Selection of antileishmanial sesquiterpene lactones from SistematX database using a combined ligand-/structure-based virtual screening approach
Chonny Herrera‐Acevedo, Mayara dos Santos Maia, Élida Batista Vieira Sousa Cavalcanti, Ericsson Coy‐Barrera, Luciana Scotti, Marcus Tullius Scotti
Topics & Concepts
Virtual screeningchEMBLLeishmania donovaniComputational biologyAmastigoteHomology modelingBiologyDocking (animal)Visceral leishmaniasisLeishmaniasisLeishmaniaPharmacologyDrug discoveryBiochemistryMedicineComputer scienceImmunologyEnzymeNursingWorld Wide WebParasite hostingResearch on Leishmaniasis StudiesTrypanosoma species research and implicationsEnzyme function and inhibition