In Vitro and In Silico Evaluation of the Leishmanicidal and Trypanocidal Activities of Lignan Methylpiperitol Isolated from Persea Fulva

Author:

Alves Reis Isabella Mary1ORCID,da Silva Girliane Regina2ORCID,de Mattos Oliveira Larissa1ORCID,Coelho dos Santos Junior Manoelito1ORCID,Sarmento da Silva Tania Maria2ORCID,Curcino Vieira Ivo José3ORCID,Braz‐Filho Raimundo34ORCID,Romanelli Maiara Maria5ORCID,Amaral Maiara5ORCID,Tempone Andre Gustavo5ORCID,Ghilardi Lago João Henrique6ORCID,Branco Alexsandro1ORCID

Affiliation:

1. Laboratório de Fitoquímica Departamento de Saúde Universidade Estadual de Feira de Santana 44036-900 Feira de Santana BA Brazil

2. Laboratório de Bioprospecção Fitoquímica Departamento de Química Universidade Federal Rural de Pernambuco 52171-900 Recife PE Brazil

3. Laboratório de Ciências Químicas Centro de Ciências e Tecnologia Universidade Estadual do Norte Fluminense – Darcy Ribeiro 28013-602 Campos dos Goytacazes RJ Brazil

4. PVE-FAPERJ/DEQUIM-ICE – Universidade Federal Rural do Rio de Janeiro 23894-374 Seropédica RJ Brazil

5. Laboratório de Fisiopatologia Instituto Butantan 05503-900 São Paulo SP Brazil

6. Centro de Ciências Naturais e Humanas Universidade Federal do ABC 09210-580 Santo Andre SP Brazil

Abstract

AbstractNeglected Tropical Diseases are a significant concern as they encompass various infections caused by pathogens prevalent in tropical regions. The limited and often highly toxic treatment options for these diseases necessitate the exploration of new therapeutic candidates. In the present study, the lignan methylpiperitol was isolated after several chromatographic steps from Persea fulva L. E. Koop (Lauraceae) and its leishmanicidal and trypanocidal activities were evaluated using in vitro and in silico approaches. The chemical structure of methylpiperitol was defined by NMR and MS spectral data analysis. The antiprotozoal activity of methylpiperitol was determined in vitro and indicated potency against trypomastigote forms of Trypanosoma cruzi (EC50 of 4.5±1.1 mM) and amastigote forms of Leishmania infantum (EC50 of 4.1±0.5 mM), with no mammalian cytotoxicity against NCTC cells (CC50>200 mM). Molecular docking studies were conducted using six T. cruzi and four Leishmania. The results indicate that for the molecular target hypoxanthine phosphoribosyl transferase in T. cruzi and piteridine reductase 1 of L. infatum, the methylpiperitol obtained better results than the crystallographic ligand. Therefore, the lignan methylpiperitol, isolated from P. fulva holds potential for the development of new prototypes for the treatment of Neglected Tropical Diseases, especially leishmaniasis.

Funder

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Fundação de Amparo à Pesquisa do Estado de São Paulo

Fundação de Amparo à Pesquisa do Estado da Bahia

Publisher

Wiley

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