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

Binding 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 concentra...

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Main Authors: Al-Madhagi W.M., Hashim N.M., Awadh Ali N.A., Taha H., Alhadi A.A., Abdullah A.A., Sharhan O., Othman R.
Other Authors: 57202375483
Format: Article
Published: American Chemical Society 2023
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spelling my.uniten.dspace-246522023-05-29T15:25:31Z Bioassay-Guided Isolation and in Silico Study of Antibacterial Compounds From Petroleum Ether Extract of Peperomia blanda (Jacq.) Kunth Al-Madhagi W.M. Hashim N.M. Awadh Ali N.A. Taha H. Alhadi A.A. Abdullah A.A. Sharhan O. Othman R. 57202375483 55539189171 22133476100 54279619100 24528394000 57209023933 56497932100 56222934000 Binding 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 Extracts Bioassay-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. Final 2023-05-29T07:25:31Z 2023-05-29T07:25:31Z 2019 Article 10.1021/acs.jcim.8b00969 2-s2.0-85066296805 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85066296805&doi=10.1021%2facs.jcim.8b00969&partnerID=40&md5=7ecc038d7e6e7dd77fae992cea87665b https://irepository.uniten.edu.my/handle/123456789/24652 59 5 1858 1872 American Chemical Society Scopus
institution Universiti Tenaga Nasional
building UNITEN Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Tenaga Nasional
content_source UNITEN Institutional Repository
url_provider http://dspace.uniten.edu.my/
description Binding 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 Extracts
author2 57202375483
author_facet 57202375483
Al-Madhagi W.M.
Hashim N.M.
Awadh Ali N.A.
Taha H.
Alhadi A.A.
Abdullah A.A.
Sharhan O.
Othman R.
format Article
author Al-Madhagi W.M.
Hashim N.M.
Awadh Ali N.A.
Taha H.
Alhadi A.A.
Abdullah A.A.
Sharhan O.
Othman R.
spellingShingle Al-Madhagi W.M.
Hashim N.M.
Awadh Ali N.A.
Taha H.
Alhadi A.A.
Abdullah A.A.
Sharhan O.
Othman R.
Bioassay-Guided Isolation and in Silico Study of Antibacterial Compounds From Petroleum Ether Extract of Peperomia blanda (Jacq.) Kunth
author_sort Al-Madhagi W.M.
title Bioassay-Guided Isolation and in Silico Study of Antibacterial Compounds From Petroleum Ether Extract of Peperomia blanda (Jacq.) Kunth
title_short Bioassay-Guided Isolation and in Silico Study of Antibacterial Compounds From Petroleum Ether Extract of Peperomia blanda (Jacq.) Kunth
title_full Bioassay-Guided Isolation and in Silico Study of Antibacterial Compounds From Petroleum Ether Extract of Peperomia blanda (Jacq.) Kunth
title_fullStr Bioassay-Guided Isolation and in Silico Study of Antibacterial Compounds From Petroleum Ether Extract of Peperomia blanda (Jacq.) Kunth
title_full_unstemmed Bioassay-Guided Isolation and in Silico Study of Antibacterial Compounds From Petroleum Ether Extract of Peperomia blanda (Jacq.) Kunth
title_sort bioassay-guided isolation and in silico study of antibacterial compounds from petroleum ether extract of peperomia blanda (jacq.) kunth
publisher American Chemical Society
publishDate 2023
_version_ 1806427321112985600
score 13.214268

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