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 Clove Phytochemicals as Potential Antiviral Drug Candidates Targeting SARS-CoV-2 Main Protease: Computational Docking, Molecular Dynamics Simulation, and Pharmacokinetic Profiling Subject The topic of the resource casuarictin; clove; main protease; phytochemicals; SARS-CoV-2 Description An account of the resource The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) virus can cause a sudden respiratory disease spreading with a high mortality rate arising with unknown mechanisms. Still, there is no proper treatment available to overcome the disease, which urges the research community and pharmaceutical industries to screen a novel therapeutic intervention to combat the current pandemic. This current study exploits the natural phytochemicals obtained from clove, a traditional natural therapeutic that comprises important bioactive compounds used for targeting the main protease of SARS-CoV-2. As a result, inhibition of viral replication effectively procures by targeting the main protease, which is responsible for the viral replication inside the host. Pharmacokinetic studies were evaluated for the property of drug likeliness. A total of 53 bioactives were subjected to the study, and four among them, namely, eugenie, syzyginin B, eugenol, and casuarictin, showed potential binding properties against the target SARS-CoV-2 main protease. The resultant best bioactive was compared with the commercially available standard drugs. Furthermore, validation of respective compounds with a comprehensive molecular dynamics simulation was performed using Schringer software. To further validate the bioactive phytochemicals and delimit the screening process of potential drugs against coronavirus disease 2019, in vitro and in vivo clinical studies are needed to prove their efficacy. Copyright 2022 Chandra Manivannan, Malaisamy, Eswaran, Meyyazhagan, Arumugam, Rengasamy, Balasubramanian and Liu. Creator An entity primarily responsible for making the resource Chandra Manivannan A.; Malaisamy A.; Eswaran M.; Meyyazhagan A.; Arumugam V.A.; Rengasamy K.R.R.; Balasubramanian B.; Liu W.-C. Source A related resource from which the described resource is derived Frontiers in Molecular Biosciences, Vol-9 Publisher An entity responsible for making the resource available Frontiers Media S.A. Date A point or period of time associated with an event in the lifecycle of the resource 2022-01-01 Identifier An unambiguous reference to the resource within a given context <a href="https://doi.org/10.3389/fmolb.2022.918101" target="_blank" rel="noreferrer noopener">https://doi.org/10.3389/fmolb.2022.918101</a> <br /><br /><a href="https://www.scopus.com/inward/record.uri?eid=2-s2.0-85133909602&amp;doi=10.3389%2Ffmolb.2022.918101&amp;partnerID=40&amp;md5=f7a230c91c1908a9d459d4712f85a4e8" target="_blank" rel="noreferrer noopener">https://www.scopus.com/inward/record.uri?eid=2-s2.0-85133909602&amp;doi=10.3389%2ffmolb.2022.918101&amp;partnerID=40&amp;md5=f7a230c91c1908a9d459d4712f85a4e8</a> Rights Information about rights held in and over the resource All Open Access; Gold Open Access; Green Open Access Relation A related resource ISSN: 2296889X 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 Chandra Manivannan A., Department of Microbiology, Alagappa University, Karaikudi, India; Malaisamy A., Integrative Biology Division, International Centre for Genetic Engineering and Biotechnology, New Delhi, India; Eswaran M., Department of Bioinformatics, Bharathiar University, Coimbatore, India; Meyyazhagan A., Department of Life Sciences, CHRIST (Deemed to be University), Bengaluru, India; Arumugam V.A., Department of Human Genetics and Molecular Biology, Bharathiar University, Coimbatore, India; Rengasamy K.R.R., Department of Pharmacology, Centre for Transdisciplinary Research, Saveetha Dental College, Saveetha Institute of Medical and Technical Sciences (SIMATS), Chennai, India; Balasubramanian B., Department of Food Science and Biotechnology, College of Life Science, Sejong University, Seoul, South Korea; Liu W.-C., Department of Animal Science, College of Coastal Agricultural Sciences, Guangdong Ocean University, Zhanjiang, China