In-Silico Virtual Screening of Novel Antitoxic Agents from Talinum paniculatum as Inhibitors of Phospholipase A2 and Metalloproteinase Receptor for Antivenom Study

In-Silico Virtual Screening of Novel Antitoxic Agents from Talinum paniculatum as Inhibitors of Phospholipase A2 and Metalloproteinase Receptor for Antivenom Study | Research Square window.SnipcartSettings = { analytics: { enabled: false } }; (function() { var accessVector = localStorage.getItem('access_vector') || ''; window.dataLayer = window.dataLayer || []; if (accessVector) { window.dataLayer.push({ user: { profile: { profileInfo: { snid: accessVector } } } }); } })(); (function(w,d,s,l,i){w[l]=w[l]||[];w[l].push({'gtm.start':new Date().getTime(),event:'gtm.js'});var f=d.getElementsByTagName(s)[0],j=d.createElement(s),dl=l!='dataLayer'?'&l='+l:'';j.async=true;j.src='https://www.googletagmanager.com/gtm.js?id='+i+dl;f.parentNode.insertBefore(j,f);})(window,document,'script','dataLayer','GTM-K279D39R'); Browse Preprints In Review Journals COVID-19 Preprints AJE Video Bytes Research Tools Research Promotion AJE Professional Editing AJE Rubriq About Preprint Platform In Review Editorial Policies Our Team Advisory Board Help Center Sign In Submit a Preprint Cite Share Download PDF Research Article In-Silico Virtual Screening of Novel Antitoxic Agents from Talinum paniculatum as Inhibitors of Phospholipase A2 and Metalloproteinase Receptor for Antivenom Study O. S. Bakare, S. A. Praise, S. O. Olubode, A. T. Kolawole, M. M. Olusanya, and 1 more This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-6098491/v1 This work is licensed under a CC BY 4.0 License Status: Posted Version 1 posted You are reading this latest preprint version Abstract Health agencies have reported deaths from the envenomation of snakes, scorpions, and spiders to be a global challenge. Phospholipase A2 (PLA2) and metalloproteinase have been investigated to be major venom enzymes and their inhibition is important for antivenom experimentation. Varespladib (and other drugs such as varespladib-methyl and darapladib) has been mostly used as an antivenin but its cytotoxicity and the drive to source for effective drugs from phytomedicine with little or no side effects and higher potency led to the screening of bioactive compounds of Talinum paniculatum. The bioactive components of the plant with high binding affinities to the protein targets used were identified and subjected to further analysis and studies. After the molecular screening of the compounds of Talinum paniculatum ; rutin, kaempferol, quercetin, and Talinumoside1 were established to have high binding affinities to PLA2 and metalloproteinase in comparison to Varespladib (and other compounds such as varespladib-methyl, darapladib, marimastat and ilomastat) used for the study. Quercetin and kaempferol showed better results after the ADMET study and are better drug candidates than the other compounds studied. This research indicates that quercetin and kaempferol may inhibit PLA2, metalloproteinase, and potential antivenins. Further analysis is recommended to substantiate this study. Rutin Quercetin Kaempferol Varespladib Envenomation ADMET Full Text Additional Declarations No competing interests reported. Supplementary Files ListofTables.docx GraphicalAbstract.docx Cite Share Download PDF Status: Posted Version 1 posted You are reading this latest preprint version Research Square lets you share your work early, gain feedback from the community, and start making changes to your manuscript prior to peer review in a journal. As a division of Research Square Company, we’re committed to making research communication faster, fairer, and more useful. We do this by developing innovative software and high quality services for the global research community. Our growing team is made up of researchers and industry professionals working together to solve the most critical problems facing scientific publishing. Also discoverable on Platform About Our Team In Review Editorial Policies Advisory Board Help Center Resources Author Services Accessibility API Access RSS feed Manage Cookie Preferences © Research Square 2026 | ISSN 2693-5015 (online) Privacy Policy Terms of Service Do Not Sell My Personal Information {"props":{"pageProps":{"initialData":{"identity":"rs-6098491","acceptedTermsAndConditions":true,"allowDirectSubmit":true,"archivedVersions":[],"articleType":"Research Article","associatedPublications":[],"authors":[{"id":445198214,"identity":"a28f1a60-4f56-4e7f-a96d-92af574eefe9","order_by":0,"name":"O. S. 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