Pharmaco-phytochemistry of esters isolated from leaf extracts of Spondias mombin as potential antiviral agents
DOI:
https://doi.org/10.17159/sajs.2024/14913Keywords:
Spondias mombin, phytochemistry, ethnomedicine, pharmacological activity, esters, rhinovirusAbstract
The present work reports on the isolation and characterisation of two novel antiviral ester compounds from dichloromethane leaf extracts of Spondias mombin (SM). The characterisation and structural elucidation were established from spectroscopic evidence of nuclear magnetic resonance, Fourier transform infrared and mass spectroscopy. The compounds identified were 6-methylheptyl pentadecanoate and 6-methylheptyl-15-(1,2,3,4,4a,8a-hexahydronaphthalen-1-yl)pentadecanoate. The novel isolated ester compounds were reported to have anti-rhino virus activity in silico against a known biological target (HsNMT1) that plays a key role in developing therapeutics against the common cold. Molecular docking analysis revealed the binding affinity across all targets within the range of −4.6 to −8.2 kcal/mol, whilst molecular dynamic simulation showed that systems attained good stability due to the maintenance of mean root-mean-square deviation values within the acceptable range of 1.5−2.5 Å. It can be concluded that the novel compounds are potential inhibitory candidates against rhinovirus protein target HsNMT1. However, in vitro and in vivo experiments are further required to validate the possible inhibitory candidates against rhinovirus disease (common cold).
Significance:
The significance of this study contributes to the scientific rationale for using SM leaf extracts to treat viral diseases. Two novel compounds, 6-methylheptyl pentadecanoate and 6-methylheptyl-15-(1,2,3,4,4a,8a-hexahydronaphthalen-1-yl)pentadecanoate, were predicted through computer-aided techniques to possess anti-rhinovirus properties.
Downloads
Additional Files
Published
Issue
Section
License
All articles are published under a Creative Commons Attribution 4.0 International Licence
Copyright is retained by the authors. Readers are welcome to reproduce, share and adapt the content without permission provided the source is attributed.
Disclaimer: The publisher and editors accept no responsibility for statements made by the authors
How to Cite
- Abstract 188
- PDF 194
- EPUB 65
- XML 50
- Supplementary material 153
- Peer review history 20