Publication:
Bioassay-Guided Isolation and in Silico Study of Antibacterial Compounds From Petroleum Ether Extract of Peperomia blanda (Jacq.) Kunth

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dc.citedby6
dc.contributor.authorAl-Madhagi W.M.en_US
dc.contributor.authorHashim N.M.en_US
dc.contributor.authorAwadh Ali N.A.en_US
dc.contributor.authorTaha H.en_US
dc.contributor.authorAlhadi A.A.en_US
dc.contributor.authorAbdullah A.A.en_US
dc.contributor.authorSharhan O.en_US
dc.contributor.authorOthman R.en_US
dc.contributor.authorid57202375483en_US
dc.contributor.authorid55539189171en_US
dc.contributor.authorid22133476100en_US
dc.contributor.authorid54279619100en_US
dc.contributor.authorid24528394000en_US
dc.contributor.authorid57209023933en_US
dc.contributor.authorid56497932100en_US
dc.contributor.authorid56222934000en_US
dc.date.accessioned2023-05-29T07:25:31Z
dc.date.available2023-05-29T07:25:31Z
dc.date.issued2019
dc.descriptionBinding energy; Ethers; Gasoline; Liquid chromatography; Mass spectrometry; Microorganisms; Molecular dynamics; Uranium metallography; Vanadium metallography; Anti-microbial activity; Antibacterial compounds; Chromatographic techniques; Methylthioadenosine phosphorylase; Minimum inhibitory concentration; Molecular dynamics simulations; Petroleum ether extract; Two Dimensional (2 D); Gas chromatography; antiinfective agent; petroleum; plant extract; bacterial infection; bacterium; chemistry; drug effect; human; isolation and purification; microbial sensitivity test; molecular model; Peperomia; Anti-Bacterial Agents; Bacteria; Bacterial Infections; Humans; Microbial Sensitivity Tests; Models, Molecular; Peperomia; Petroleum; Plant Extractsen_US
dc.description.abstractBioassay-guided isolation protocol was performed on petroleum ether extract of Peperomia blanda (Jacq.) Kunth using column chromatographic techniques. Five compounds were isolated and their structures were elucidated via one-dimensional (1D) and two-dimensional (2D) NMR, gas chromatography mass sectroscopy (GCMS), liquid chromatography mass spectroscopy (LCMS), and ultraviolet (UV) and infrared (IR) analyses. Dindygulerione E (a new compound), and two compounds isolated from P. blanda for the first time-namely, dindygulerione A and flavokawain A- A re reported herein. Antimicrobial activity was screened against selected pathogenic microbes, and minimum inhibitory concentrations (MIC) were recorded within the range of 62-250 ?g/mL. Assessment of the pharmacotherapeutic potential has also been done for the isolated compounds, using the Prediction of Activity spectra for Substances (PASS) software, and different activities of compounds were predicted. Molecular docking, molecular dynamics simulation and molecular mechanics/Poisson-Boltzmann Surface Area (MM-PBSA) calculations have proposed the binding affinity of these compounds toward methylthioadenosine phosphorylase enzyme, which may explain their inhibitory actions. � 2019 American Chemical Society.en_US
dc.description.natureFinalen_US
dc.identifier.doi10.1021/acs.jcim.8b00969
dc.identifier.epage1872
dc.identifier.issue5
dc.identifier.scopus2-s2.0-85066296805
dc.identifier.spage1858
dc.identifier.urihttps://www.scopus.com/inward/record.uri?eid=2-s2.0-85066296805&doi=10.1021%2facs.jcim.8b00969&partnerID=40&md5=7ecc038d7e6e7dd77fae992cea87665b
dc.identifier.urihttps://irepository.uniten.edu.my/handle/123456789/24652
dc.identifier.volume59
dc.publisherAmerican Chemical Societyen_US
dc.sourceScopus
dc.sourcetitleJournal of Chemical Information and Modeling
dc.titleBioassay-Guided Isolation and in Silico Study of Antibacterial Compounds From Petroleum Ether Extract of Peperomia blanda (Jacq.) Kunthen_US
dc.typeArticleen_US
dspace.entity.typePublication
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