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 A comprehensive molecular docking-based study to identify potential drug-candidates against the novel and emerging severe fever with thrombocytopenia syndrome virus (SFTSV) by targeting the nucleoprotein Subject The topic of the resource Drug; Molecular docking; Molecular dynamic simulation; Nucleoprotein; Pharmacophores Description An account of the resource Severe fever with thrombocytopenia syndrome (SFTS) is a newly emerging haemorrhagic fever that is caused by an RNA virus called Severe fever with Thrombocytopenia Syndrome virus (SFTSV). The disease has spread globally with a case fatality rate of 30%. The nucleoprotein (N) of the virus has a pivotal role in replication and transcription of RNA inside the host. Considering that no specific treatment regime is suggested for the disease, N protein may be regarded as the potential candidate drug target. In the present study, in silico molecular docking was performed with 130 compounds (60 natural compounds and 70 repurposed synthetic drugs) against the N protein. Based on the binding affinity (kcal mol?1), we selected Cryptoleurine (?10.323kcalmol?1) and Ivermectin (?10.327kcalmol?1) as the top-ranked ligands from the natural compounds and repurposed synthetic drugs groups respectively, and pharmacophore analysis of these compounds along with other high performing ligands revealed that two aromatic and one acceptor groups could strongly interact with the target protein. Finally, molecular dynamic simulations of Cryptoleurine and Ivermectin showed stable interactions with the N protein of SFTSV. To conclude, Cryptoleurine and Ivermectin can be considered as a potential therapeutic agent against the infectious SFTS virus. Graphical abstract: (Figure presented.) The Author(s) under exclusive licence to Archana Sharma Foundation of Calcutta 2024. Creator An entity primarily responsible for making the resource Sengupta S.; Mohanty S.; Rababi D.; Nag A. Source A related resource from which the described resource is derived Nucleus (India) Publisher An entity responsible for making the resource available Springer Date A point or period of time associated with an event in the lifecycle of the resource 2024-01-01 Identifier An unambiguous reference to the resource within a given context <a href="https://doi.org/10.1007/s13237-024-00495-1" target="_blank" rel="noreferrer noopener">https://doi.org/10.1007/s13237-024-00495-1</a> <br /><br /><a href="https://www.scopus.com/inward/record.uri?eid=2-s2.0-85193845368&amp;doi=10.1007%2Fs13237-024-00495-1&amp;partnerID=40&amp;md5=9a8479e04ac80b3bffcde0a8ebbd400d" target="_blank" rel="noreferrer noopener">https://www.scopus.com/inward/record.uri?eid=2-s2.0-85193845368&amp;doi=10.1007%2fs13237-024-00495-1&amp;partnerID=40&amp;md5=9a8479e04ac80b3bffcde0a8ebbd400d</a> Rights Information about rights held in and over the resource Restricted Access Relation A related resource ISSN: 0029568X 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 Sengupta S., Department of Life Sciences, CHRIST (Deemed to Be University), Karnataka, Bangalore, India; Mohanty S., Department of Life Sciences, CHRIST (Deemed to Be University), Karnataka, Bangalore, India; Rababi D., Department of Life Sciences, CHRIST (Deemed to Be University), Karnataka, Bangalore, India; Nag A., Department of Life Sciences, CHRIST (Deemed to Be University), Karnataka, Bangalore, India