Title
In silico Evaluation of Dodonic Acid from Dodonaea viscosa Jacq on Target Proteins from Staphylococcus aureus
Date Issued
01 September 2022
Access level
open access
Resource Type
journal article
Author(s)
Publisher(s)
Journal of Pure and Applied Microbiology
Abstract
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.
Start page
1743
End page
1754
Volume
16
Issue
3
Language
English
OCDE Knowledge area
Farmacología, Farmacia
Biología celular, Microbiología
Subjects
Scopus EID
2-s2.0-85138114067
Source
Journal of Pure and Applied Microbiology
ISSN of the container
0973-7510
Sources of information:
Directorio de Producción Científica
Scopus