Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Articles Article Faculty Publications -Articles Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Evaluation of therapeutic potentials of selected phytochemicals against Nipah virus, a multi-dimensional in silico study Subject The topic of the resource Drug-likeliness; In silico; Molecular docking; Nipah virus; Phytochemicals; Simulation; Statistics Description An account of the resource The current study attempted to evaluate the potential of fifty-three (53) natural compounds as Nipah virus attachment glycoprotein (NiV G) inhibitors through in silico molecular docking study. Pharmacophore alignment of the four(4) selected compounds (Naringin, Mulberrofuran B, Rutin and Quercetin 3-galactoside) through Principal Component Analysis (PCA) revealed that common pharmacophores, namely four H bond acceptors, one H bond donor and two aromatic groups were responsible for the residual interaction with the target protein. Out of these four compounds, Naringin was found to have the highest inhibitory potential ( 9.19kcalmol?1) against the target protein NiV G, when compared to the control drug, Ribavirin ( 6.95kcalmol?1). The molecular dynamic simulation revealed that Naringin could make a stable complex with the target protein in the near-native physiological condition. Finally, MM-PBSA (Molecular Mechanics-PoissonBoltzmann Solvent-Accessible Surface Area) analysis in agreement with our molecular docking result, showed that Naringin ( 218.664kJmol?1) could strongly bind with the target protein NiV G than the control drug Ribavirin ( 83.812kJmol?1). 2023, King Abdulaziz City for Science and Technology. Creator An entity primarily responsible for making the resource Rababi D.; Nag A. Source A related resource from which the described resource is derived 3 Biotech, Vol-13, No. 6 Publisher An entity responsible for making the resource available Springer Science and Business Media Deutschland GmbH Date A point or period of time associated with an event in the lifecycle of the resource 2023-01-01 Identifier An unambiguous reference to the resource within a given context <a href="https://doi.org/10.1007/s13205-023-03595-y" target="_blank" rel="noreferrer noopener">https://doi.org/10.1007/s13205-023-03595-y</a> <br /><br /><a href="https://www.scopus.com/inward/record.uri?eid=2-s2.0-85159038122&amp;doi=10.1007%2Fs13205-023-03595-y&amp;partnerID=40&amp;md5=7f91fbceb04e03a679cd2f4e1acd86c0" target="_blank" rel="noreferrer noopener">https://www.scopus.com/inward/record.uri?eid=2-s2.0-85159038122&amp;doi=10.1007%2fs13205-023-03595-y&amp;partnerID=40&amp;md5=7f91fbceb04e03a679cd2f4e1acd86c0</a> Rights Information about rights held in and over the resource All Open Access; Bronze Open Access; Green Open Access Relation A related resource ISSN: 2190572X Format The file format, physical medium, or dimensions of the resource Online Language A language of the resource English Type The nature or genre of the resource Article Coverage The spatial or temporal topic of the resource, the spatial applicability of the resource, or the jurisdiction under which the resource is relevant Rababi D., Department of Life Sciences, CHRIST (Deemed to be University), Bangalore Central Campus, Bangalore, India; Nag A., Department of Life Sciences, CHRIST (Deemed to be University), Bangalore Central Campus, Bangalore, India