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Please use this identifier to cite or link to this item: http://dspace.bits-pilani.ac.in:8080/jspui/handle/123456789/18137
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dc.contributor.authorJadhav, Hemant R.-
dc.date.accessioned2025-03-04T07:14:17Z-
dc.date.available2025-03-04T07:14:17Z-
dc.date.issued2024-01-
dc.identifier.urihttps://www.sciencedirect.com/science/article/pii/S0254629923007160-
dc.identifier.urihttp://dspace.bits-pilani.ac.in:8080/jspui/handle/123456789/18137-
dc.description.abstractSince ages, natural products have laid the foundation for the development of promising antimicrobials. With the advent of antimicrobial resistance, the search for effective antimicrobials continues as its shortfall will menace the healthcare system. Natsiatum herpeticum remained the least explored plant despite its ethnopharmacological claims. DNA barcoding was performed to identify and ensure quality control of the plant materials used in the experiment. QToF-MS analysis followed by network pharmacology revealed TNF and IRAK4 to be the two gene targets that can be modulated by the compounds present in the extract. Analysis of potential drug-like compounds using molecular docking (against 1KZN, 2VF5, 2W9S, and 4CJN) and MD simulation suggested compound CPD2 to be the most potent molecule against the bacterial targets. Bacteriostatic activity against E. coli was exhibited by the extract (MIC=50 μg/ml) in the microtiter-plate dilution method. Our results suggest that N. herpeticum not only exhibits potential bacteriostatic activity against E. coli but can also modulate host-immune responses via TNF and IRAK4-associated pathways.en_US
dc.language.isoenen_US
dc.publisherElsevieren_US
dc.subjectPharmacyen_US
dc.subjectDNA Barcodingen_US
dc.subjectNatsiatum herpeticumen_US
dc.subjectAntibacterialen_US
dc.subjectNetwork pharmacologyen_US
dc.subjectMolecular dockingen_US
dc.subjectMolecular dynamics simulationen_US
dc.titleInvestigation of antibacterial potential of Natsiatum herpeticum Buch.-Ham. ex Arn. using in silico-in vitro approachen_US
dc.typeArticleen_US
Appears in Collections:Department of Pharmacy

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