(L.) H. Rob is a medicinal plant used for the treatment of several infections. This study aimed to evaluate the antileishmanial activity of leaves using in vitro and in silico approaches. The chemical composition of leaf extract was determined through liquid chromatography-mass spectrometry (LC-MS). The inhibitory activity against promastigote was evaluated by the MTT method. In silico analysis was performed using Lanosterol 14alpha-demethylase (CYP51) as the target. The toxicity analysis was performed in RAW 264.7 cells and larvae. LC-MS revealed the presence of 14 compounds in crude extract, including flavonoids, flavones, sesquiterpene lactones, and quinic acids. Eriodictol (ΔGbind = -9.0), luteolin (ΔGbind = -8.7), and apigenin (ΔGbind = -8.6) obtained greater strength of molecular interaction with lanosterol demethylase in the molecular docking study. The hexane fraction of showed the best leishmanicidal activity against in vitro (IC 12.44 ± 0.875 µg·mL) and low cytotoxicity in RAW 264.7 cells (CC 314.89 µg·mL, SI = 25.30) and larvae. However, the hexane fraction and Amphotericin-B had antagonistic interaction (FICI index ≥ 4.0). This study revealed that and its metabolites are potential sources of lead compounds for drugs for leishmaniasis treatment.