A scaffolded approach to unearth potential antibacterial components from epicarp of Malaysian Nephelium lappaceum L.

Abstract The emergence and spread of antimicrobial resistance have been of serious concern to human health and the management of bacterial infectious diseases. Effective treatment of these diseases requires the development of novel therapeutics, preferably free of side effects. In this regard, natur...

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Autores principales:	Ali Asghar, Yong Chiang Tan, Mohammad Zahoor, Syafiq Asnawi Zainal Abidin, Yoon-Yen Yow, Ezzat Khan, Chandrajit Lahiri
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/5ca479fbd41f4c2a9697d3318302418c
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spelling	oai:doaj.org-article:5ca479fbd41f4c2a9697d3318302418c2021-12-02T15:23:16ZA scaffolded approach to unearth potential antibacterial components from epicarp of Malaysian Nephelium lappaceum L.10.1038/s41598-021-92622-02045-2322https://doaj.org/article/5ca479fbd41f4c2a9697d3318302418c2021-07-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-92622-0https://doaj.org/toc/2045-2322Abstract The emergence and spread of antimicrobial resistance have been of serious concern to human health and the management of bacterial infectious diseases. Effective treatment of these diseases requires the development of novel therapeutics, preferably free of side effects. In this regard, natural products are frequently conceived to be potential alternative sources for novel antibacterial compounds. Herein, we have evaluated the antibacterial activity of the epicarp extracts of the Malaysian cultivar of yellow rambutan fruit (Nephelium lappaceum L.) against six pathogens namely, Bacillus subtilis, methicillin-resistant Staphylococcus aureus (MRSA), Streptococcus pyogenes, Pseudomonas aeruginosa, Klebsiella pneumoniae and Salmonella enterica. Among a series of solvent extracts, fractions of ethyl acetate and acetone have revealed significant activity towards all tested strains. Chemical profiling of these fractions, via HPLC, LC–MS and GC–MS, has generated a library of potentially bioactive compounds. Downstream virtual screening, pharmacological prediction, and receptor-ligand molecular dynamics simulation have eventually unveiled novel potential antibacterial compounds, which can be extracted for medicinal use. We report compounds like catechin, eplerenone and oritin-4-beta-ol to be computationally inhibiting the ATP-binding domain of the chaperone, DnaK of P. aeruginosa and MRSA. Thus, our work follows the objective to propose new antimicrobials capable of perforating the barrier of resistance posed by both the gram positives and the negatives.Ali AsgharYong Chiang TanMohammad ZahoorSyafiq Asnawi Zainal AbidinYoon-Yen YowEzzat KhanChandrajit LahiriNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-15 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Ali Asghar Yong Chiang Tan Mohammad Zahoor Syafiq Asnawi Zainal Abidin Yoon-Yen Yow Ezzat Khan Chandrajit Lahiri A scaffolded approach to unearth potential antibacterial components from epicarp of Malaysian Nephelium lappaceum L.
description	Abstract The emergence and spread of antimicrobial resistance have been of serious concern to human health and the management of bacterial infectious diseases. Effective treatment of these diseases requires the development of novel therapeutics, preferably free of side effects. In this regard, natural products are frequently conceived to be potential alternative sources for novel antibacterial compounds. Herein, we have evaluated the antibacterial activity of the epicarp extracts of the Malaysian cultivar of yellow rambutan fruit (Nephelium lappaceum L.) against six pathogens namely, Bacillus subtilis, methicillin-resistant Staphylococcus aureus (MRSA), Streptococcus pyogenes, Pseudomonas aeruginosa, Klebsiella pneumoniae and Salmonella enterica. Among a series of solvent extracts, fractions of ethyl acetate and acetone have revealed significant activity towards all tested strains. Chemical profiling of these fractions, via HPLC, LC–MS and GC–MS, has generated a library of potentially bioactive compounds. Downstream virtual screening, pharmacological prediction, and receptor-ligand molecular dynamics simulation have eventually unveiled novel potential antibacterial compounds, which can be extracted for medicinal use. We report compounds like catechin, eplerenone and oritin-4-beta-ol to be computationally inhibiting the ATP-binding domain of the chaperone, DnaK of P. aeruginosa and MRSA. Thus, our work follows the objective to propose new antimicrobials capable of perforating the barrier of resistance posed by both the gram positives and the negatives.
format	article
author	Ali Asghar Yong Chiang Tan Mohammad Zahoor Syafiq Asnawi Zainal Abidin Yoon-Yen Yow Ezzat Khan Chandrajit Lahiri
author_facet	Ali Asghar Yong Chiang Tan Mohammad Zahoor Syafiq Asnawi Zainal Abidin Yoon-Yen Yow Ezzat Khan Chandrajit Lahiri
author_sort	Ali Asghar
title	A scaffolded approach to unearth potential antibacterial components from epicarp of Malaysian Nephelium lappaceum L.
title_short	A scaffolded approach to unearth potential antibacterial components from epicarp of Malaysian Nephelium lappaceum L.
title_full	A scaffolded approach to unearth potential antibacterial components from epicarp of Malaysian Nephelium lappaceum L.
title_fullStr	A scaffolded approach to unearth potential antibacterial components from epicarp of Malaysian Nephelium lappaceum L.
title_full_unstemmed	A scaffolded approach to unearth potential antibacterial components from epicarp of Malaysian Nephelium lappaceum L.
title_sort	scaffolded approach to unearth potential antibacterial components from epicarp of malaysian nephelium lappaceum l.
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/5ca479fbd41f4c2a9697d3318302418c
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A scaffolded approach to unearth potential antibacterial components from epicarp of Malaysian Nephelium lappaceum L.

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