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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 (\n                    <jats:italic>Nephelium lappaceum L.<\/jats:italic>\n                    ) against six pathogens namely,\n                    <jats:italic>Bacillus subtilis<\/jats:italic>\n                    , methicillin-resistant\n                    <jats:italic>Staphylococcus aureus<\/jats:italic>\n                    (MRSA),\n                    <jats:italic>Streptococcus pyogenes, Pseudomonas aeruginosa, Klebsiella pneumoniae<\/jats:italic>\n                    and\n                    <jats:italic>Salmonella enterica<\/jats:italic>\n                    . 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\u2013MS and GC\u2013MS, 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\n                    <jats:italic>P. aeruginosa<\/jats:italic>\n                    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.\n                  <\/jats:p>","DOI":"10.1038\/s41598-021-92622-0","type":"journal-article","created":{"date-parts":[[2021,7,5]],"date-time":"2021-07-05T06:04:04Z","timestamp":1625465044000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":21,"title":["A scaffolded approach to unearth potential antibacterial components from epicarp of Malaysian Nephelium lappaceum L."],"prefix":"10.1038","volume":"11","author":[{"given":"Ali","family":"Asghar","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yong Chiang","family":"Tan","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mohammad","family":"Zahoor","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Syafiq Asnawi","family":"Zainal Abidin","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yoon-Yen","family":"Yow","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ezzat","family":"Khan","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Chandrajit","family":"Lahiri","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"297","published-online":{"date-parts":[[2021,7,5]]},"reference":[{"key":"92622_CR1","doi-asserted-by":"publisher","first-page":"142","DOI":"10.1016\/j.jgar.2016.04.009","volume":"6","author":"M Maheshwari","year":"2016","unstructured":"Maheshwari, M., Ahmad, I. & Althubiani, A. 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