Chemical Characterization and Leishmanicidal Activity In Vitro and In Silico of Natural Products Obtained from Leaves of <i>Vernonanthura brasiliana</i> (L.) H. Rob (Asteraceae)
Yuri Nascimento Fróes,
João Guilherme Nantes Araújo,
Joyce Resende dos Santos Gonçalves,
Milena de Jesus Marinho Garcia de Oliveira,
Gustavo Oliveira Everton,
Victor Elias Mouchrek Filho,
Maria Raimunda Chagas Silva,
Luís Douglas Miranda Silva,
Lucilene Amorim Silva,
Lídio Gonçalves Lima Neto,
Renata Mondêgo de Oliveira,
Mylena Andréa Oliveira Torres,
Luís Cláudio Nascimento da Silva,
Alberto Jorge Oliveira Lopes,
Amanda Silva dos Santos Aliança,
Cláudia Quintino da Rocha,
Joicy Cortez de Sá Sousa
Affiliations
Yuri Nascimento Fróes
Microbial Pathogenicity Laboratory, CEUMA University, São Luís 65075-120, Brazil
João Guilherme Nantes Araújo
Microbial Pathogenicity Laboratory, CEUMA University, São Luís 65075-120, Brazil
Joyce Resende dos Santos Gonçalves
Microbial Pathogenicity Laboratory, CEUMA University, São Luís 65075-120, Brazil
Milena de Jesus Marinho Garcia de Oliveira
Microbial Pathogenicity Laboratory, CEUMA University, São Luís 65075-120, Brazil
Gustavo Oliveira Everton
Laboratory of Research and Application of Essential Oils, Federal University of Maranhão, São Luís 65080-805, Brazil
Victor Elias Mouchrek Filho
Laboratory of Research and Application of Essential Oils, Federal University of Maranhão, São Luís 65080-805, Brazil
Maria Raimunda Chagas Silva
Laboratory of Environmental Sciences, CEUMA University, São Luís 65075-120, Brazil
Luís Douglas Miranda Silva
Immunophysiology Laboratory, Federal University of Maranhão, São Luís 65080-805, Brazil
Lucilene Amorim Silva
Immunophysiology Laboratory, Federal University of Maranhão, São Luís 65080-805, Brazil
Lídio Gonçalves Lima Neto
Virology Laboratory, CEUMA University, São Luís 65075-120, Brazil
Renata Mondêgo de Oliveira
Central Laboratory of Public Health of the State of Maranhão, IOC-LACEN, São Luís 65020-320, Brazil
Mylena Andréa Oliveira Torres
Microbial Pathogenicity Laboratory, CEUMA University, São Luís 65075-120, Brazil
Luís Cláudio Nascimento da Silva
Microbial Pathogenicity Laboratory, CEUMA University, São Luís 65075-120, Brazil
Alberto Jorge Oliveira Lopes
Federal Institute of Science Education and Technology of Maranhão, São Luis 65300-000, Brazil
Amanda Silva dos Santos Aliança
Microbial Pathogenicity Laboratory, CEUMA University, São Luís 65075-120, Brazil
Cláudia Quintino da Rocha
Natural Products Research Laboratory, Department of Chemistry, Federal University of Maranhão, São Luís 65080-805, Brazil
Joicy Cortez de Sá Sousa
Microbial Pathogenicity Laboratory, CEUMA University, São Luís 65075-120, Brazil
Vernonanthura brasiliana (L.) H. Rob is a medicinal plant used for the treatment of several infections. This study aimed to evaluate the antileishmanial activity of V. brasiliana leaves using in vitro and in silico approaches. The chemical composition of V. brasiliana leaf extract was determined through liquid chromatography-mass spectrometry (LC-MS). The inhibitory activity against Leishmania amazonensis 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 Tenebrio molitor larvae. LC-MS revealed the presence of 14 compounds in V. brasiliana 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 V. brasiliana showed the best leishmanicidal activity against L. amazonensis in vitro (IC50 12.44 ± 0.875 µg·mL−1) and low cytotoxicity in RAW 264.7 cells (CC50 314.89 µg·mL−1, SI = 25.30) and T. molitor larvae. However, the hexane fraction and Amphotericin-B had antagonistic interaction (FICI index ≥ 4.0). This study revealed that V. brasiliana and its metabolites are potential sources of lead compounds for drugs for leishmaniasis treatment.
