In silico Evaluation of Dodonic Acid from Dodonaea viscosa Jacq on Target Proteins from Staphylococcus aureus

Oscar Herrera-Calderon, Josefa Bertha Pari-Olarte, Luz Josefina Chacaltana-Ramos, Jose Santiago Almeida-Galindo, Vidalina Andia-Ayme, Gilmar Peña-Rojas, Jorge Luis-Arroyo-Acevedo, Eddie Loyola-Gonzales

Producción científica: Contribución a una revistaArtículorevisión exhaustiva

2 Citas (Scopus)

Resumen

Dodonaea viscosa Jacq is known as “chamana” in the popular flora of Peru. The traditional medicine uses its leaves as ingredient in fermented beverages from Zea mays and also in external uses for antiinflammatory diseases. The aim was to study the role of dodonic acid against several protein targets of S. aureus. This study was focused on to analyse the role of dodonic acid against S. aureus target proteins such as on Sortase-A, DNA gyrase, dihydrofolate reductase (DHFR), clumping factor, dehydrosqualene synthase, and undecaprenyl di-phosphate synthase as a promising candidate molecule. The docking analysis of dodonic acid showed the best docking score energy on S. aureus undecaprenyl diphosphate synthase with -11.2 kcal/mol and demonstrated to be a very stable molecule at physiological conditions during the molecular dynamic for 50 ns. As conclusion, the extract demonstrated to be active against S. aureus and dodonic acid might be a promising molecule acting on the S. aureus undecaprenyl diphosphate synthase.

Idioma originalInglés
Páginas (desde-hasta)1743-1754
Número de páginas12
PublicaciónJournal of Pure and Applied Microbiology
Volumen16
N.º3
DOI
EstadoPublicada - set. 2022
Publicado de forma externa

Nota bibliográfica

Publisher Copyright:
© The Author(s) 2022.

Huella

Profundice en los temas de investigación de 'In silico Evaluation of Dodonic Acid from Dodonaea viscosa Jacq on Target Proteins from Staphylococcus aureus'. En conjunto forman una huella única.

Citar esto