Chemical Characterization and Leishmanicidal Activity In Vitro and In Silico of Natural Products Obtained from Leaves of Vernonanthura brasiliana (L.) H. Rob (Asteraceae)

Author:

Fróes Yuri Nascimento1ORCID,Araújo João Guilherme Nantes1,Gonçalves Joyce Resende dos Santos1,Oliveira Milena de Jesus Marinho Garcia de1,Everton Gustavo Oliveira2,Filho Victor Elias Mouchrek2,Silva Maria Raimunda Chagas3,Silva Luís Douglas Miranda4,Silva Lucilene Amorim4,Neto Lídio Gonçalves Lima5,Oliveira Renata Mondêgo de6,Torres Mylena Andréa Oliveira1,Silva Luís Cláudio Nascimento da1ORCID,Lopes Alberto Jorge Oliveira7ORCID,Aliança Amanda Silva dos Santos1,Rocha Cláudia Quintino da8ORCID,Sousa Joicy Cortez de Sá1ORCID

Affiliation:

1. Microbial Pathogenicity Laboratory, CEUMA University, São Luís 65075-120, Brazil

2. Laboratory of Research and Application of Essential Oils, Federal University of Maranhão, São Luís 65080-805, Brazil

3. Laboratory of Environmental Sciences, CEUMA University, São Luís 65075-120, Brazil

4. Immunophysiology Laboratory, Federal University of Maranhão, São Luís 65080-805, Brazil

5. Virology Laboratory, CEUMA University, São Luís 65075-120, Brazil

6. Central Laboratory of Public Health of the State of Maranhão, IOC-LACEN, São Luís 65020-320, Brazil

7. Federal Institute of Science Education and Technology of Maranhão, São Luis 65300-000, Brazil

8. Natural Products Research Laboratory, Department of Chemistry, Federal University of Maranhão, São Luís 65080-805, Brazil

Abstract

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.

Funder

Fundação de Amparo à Pesquisa e ao Desenvolvimento Científico e Tecnológico do Maranhão

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Publisher

MDPI AG

Subject

Molecular Biology,Biochemistry,Endocrinology, Diabetes and Metabolism

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