Insights into the anti-infective effects of Pluchea indica (L.) Less and its bioactive metabolites against various bacteria, fungi, viruses, and parasites

Hikmawanti, Ni Putu Ermi; Saputri, Fadlina Chany; Yanuar, Arry; Jantan, Ibrahim; Ningrum, Ratih Asmana; Mun'im, Abdul

doi:10.1016/j.jep.2023.117387

Journal of Ethnopharmacology

2024

DOI: 10.1016/j.jep.2023.117387

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Insights into the anti-infective effects of Pluchea indica (L.) Less and its bioactive metabolites against various bacteria, fungi, viruses, and parasites

Ni Putu Ermi Hikmawanti,

Fadlina Chany Saputri,

Arry Yanuar

et al.

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2024

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Computational and in vitro analyses of the antibacterial effect of the ethanolic extract of Pluchea indica L. leaves

Wahyuni,

Junairiah,

Rosyanti

et al. 2024

Biomed Rep

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The most common gram-negative, Escherichia coli, and gram-positive bacteria, Bacillus spp., have evolved different mechanisms that have caused the emergence of multi-drug resistance. As a result, drugs that block the bacterial growth cycle are needed. Here, in silico and in vitro studies were performed to assess compounds in the Pluchea indica leaf extract, a medicinal plant, that can inhibit bacterial proteins. Briefly, P. indica leaves were extracted using ethanol. The crude extract was then subjected to gas chromatography-mass spectrometry for metabolite screening. Molecular docking simulations with rhomboid protease (R pro ) (Protein data bank ID number: 3ZMI from E. coli and filamenting temperaturesensitive mutant Z (FtsZ) protein data bank ID number: 2VAM from Bacillus subtilis were performed. Moreover, the well diffusion method was used to confirm the antibacterial activity of P. indica leaf extract. A total of 10 compounds were identified in the P. indica extract and used for computational analysis. Based on drug-likeness prediction, P. indica compounds may be drug-like molecules. Binding affinity tests indicated that 10,10-Dimethyl-2,6-dimethylenebicyclo(7.2.0) 2.0) undecan-3-ol had the most negative values. Accordingly, these compounds may be potential ligands that bind to bacterial proteins. The root mean square fluctuation values was <2 Å, indicating stable fluctuation binding for the ligand-protein complex. According to in vitro antibacterial assays, a high concentration (50%) of the P. indica extract markedly inhibited E. coli and B. subtilis, with inhibitory zone diameters of 31.86±1.63 and 21.09±0.09 mm, respectively. Overall, the compounds in the P. indica leaf extract were identified as functional inhibitors of E. coli and B. subtilis proteins via in silico analysis. This may facilitate development of antibacterial agents.

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Computational and in vitro analyses of the antibacterial effect of the ethanolic extract of Pluchea indica L. leaves

Wahyuni,

Junairiah,

Rosyanti

et al. 2024

Biomed Rep

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show abstract

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Insights into the anti-infective effects of Pluchea indica (L.) Less and its bioactive metabolites against various bacteria, fungi, viruses, and parasites

Cited by 1 publication

References 92 publications

Computational and in vitro analyses of the antibacterial effect of the ethanolic extract of Pluchea indica L. leaves

Computational and in vitro analyses of the antibacterial effect of the ethanolic extract of Pluchea indica L. leaves

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