In Silico Profiling of Hydroethanolic Extract of Cassia tora Linn and Molecular Docking Evaluation of Butin, Bilobetin, Oroxylin A, and Sphoroflavanone G Against Melanoma

In Silico Profiling of Hydroethanolic Extract of Cassia tora Linn and Molecular Docking Evaluation of Butin, Bilobetin, Oroxylin A, and Sphoroflavanone G Against Melanoma | 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 Profiling of Hydroethanolic Extract of Cassia tora Linn and Molecular Docking Evaluation of Butin, Bilobetin, Oroxylin A, and Sphoroflavanone G Against Melanoma Dr. Loveleen Kour, Dr. Vaibhav Sunil Ladke, 3. Dr. Nilima Dharkar, and 2 more This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-8930946/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 Objectives In Ayurveda, Cassia tora Linn (Chakramarda) seeds are traditionally used for managing skin disorders due to their antifungal, antibacterial, anti-inflammatory, antioxidant, and antipruritic properties. They are commonly indicated in psoriasis, fungal infections, and related dermatological conditions. Although their role in melanoma remains underexplored, classical texts emphasize their broad skin-protective potential. Based on this rationale, the present study evaluated the anticancer potential of Cassia tora Linn seeds bioactives against melanoma using In silico and molecular docking approaches. Methods Bioactive analysis of the hydroethanolic extract of Cassia tora Linn seeds was done using LC-MS analysis. These compounds were subsequently subjected to comprehensive in silico evaluation, including molecular docking studies. The analysis involved drug-likeness prediction, identification of shared targets between melanoma and the seed bioactives, protein–protein interaction (PPI) network construction, hub gene identification, functional enrichment through Gene Ontology (GO), pathway mapping via the Kyoto Encyclopedia of Genes and Genomes (KEGG), and molecular docking experiments. Results A total of 858 overlapping genes were identified, with ten hub targets—AKT1, IL6, EGFR, TNF, STAT3, GAPDH, IL1B, ALB, TP53, and SRC—emerging as central nodes in critical oncogenic pathways such as RAS/MAPK, PI3K-Akt, Wnt, JAK-STAT, VEGF, TNF signaling, melanogenesis, apoptosis, and cellular senescence. These results indicate that Cassia tora Linn seed bioactives may modulate multiple cancer-related pathways in melanoma. Conclusions The findings highlight Cassia tora Linn seeds as a promising source of chemotherapeutic agents, providing a basis for future melanoma treatment research. Graphical abstract Cassia Torra Linn seeds Chakramarda melanoma in-silico analysis molecular docking Full Text Additional Declarations No competing interests reported. Supplementary Files 90bioactives.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-8930946","acceptedTermsAndConditions":true,"allowDirectSubmit":true,"archivedVersions":[],"articleType":"Research Article","associatedPublications":[],"authors":[{"id":609476898,"identity":"1eb60947-52b5-4dfd-a973-d51469f7ae75","order_by":0,"name":"Dr. Loveleen Kour","email":"","orcid":"","institution":"Dr. D.Y. 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They are commonly indicated in psoriasis, fungal infections, and related dermatological conditions. Although their role in melanoma remains underexplored, classical texts emphasize their broad skin-protective potential. Based on this rationale, the present study evaluated the anticancer potential of Cassia tora Linn seeds bioactives against melanoma using In silico and molecular docking approaches.\u003c/p\u003e\u003ch2\u003eMethods\u003c/h2\u003e \u003cp\u003eBioactive analysis of the hydroethanolic extract of Cassia tora Linn seeds was done using LC-MS analysis. These compounds were subsequently subjected to comprehensive in silico evaluation, including molecular docking studies. The analysis involved drug-likeness prediction, identification of shared targets between melanoma and the seed bioactives, protein\u0026ndash;protein interaction (PPI) network construction, hub gene identification, functional enrichment through Gene Ontology (GO), pathway mapping via the Kyoto Encyclopedia of Genes and Genomes (KEGG), and molecular docking experiments.\u003c/p\u003e\u003ch2\u003eResults\u003c/h2\u003e \u003cp\u003eA total of 858 overlapping genes were identified, with ten hub targets\u0026mdash;AKT1, IL6, EGFR, TNF, STAT3, GAPDH, IL1B, ALB, TP53, and SRC\u0026mdash;emerging as central nodes in critical oncogenic pathways such as RAS/MAPK, PI3K-Akt, Wnt, JAK-STAT, VEGF, TNF signaling, melanogenesis, apoptosis, and cellular senescence. These results indicate that \u003cem\u003eCassia tora\u003c/em\u003e Linn seed bioactives may modulate multiple cancer-related pathways in melanoma.\u003c/p\u003e\u003ch2\u003eConclusions\u003c/h2\u003e \u003cp\u003eThe findings highlight \u003cem\u003eCassia tora Linn\u003c/em\u003e seeds as a promising source of chemotherapeutic agents, providing a basis for future melanoma treatment research.\u003c/p\u003e\u003ch2\u003eGraphical abstract\u003c/h2\u003e \u003cp\u003e \u003cdiv description=\"\" class=\"Drawing\" id=\"1\" name=\"Picture 1\"\u003e\u003c/div\u003e \u003c/p\u003e","manuscriptTitle":"In Silico Profiling of Hydroethanolic Extract of Cassia tora Linn and Molecular Docking Evaluation of Butin, Bilobetin, Oroxylin A, and Sphoroflavanone G Against Melanoma","msid":"","msnumber":"","nonDraftVersions":[{"code":1,"date":"2026-03-26 11:52:44","doi":"10.21203/rs.3.rs-8930946/v1","editorialEvents":[{"type":"communityComments","content":0}],"status":"published","journal":{"display":true,"email":"[email protected]","identity":"researchsquare","isNatureJournal":false,"hasQc":true,"allowDirectSubmit":true,"externalIdentity":"","sideBox":"","snPcode":"","submissionUrl":"/submission","title":"Research Square","twitterHandle":"researchsquare","acdcEnabled":true,"dfaEnabled":false,"editorialSystem":"","reportingPortfolio":"","inReviewEnabled":false,"inReviewRevisionsEnabled":true}}],"origin":"","ownerIdentity":"e93d8bcb-8302-4f82-ae5c-96d23758653c","owner":[],"postedDate":"March 26th, 2026","published":true,"recentEditorialEvents":[{"type":"decision","content":"Rejected","date":"2026-05-05T14:00:43+00:00","index":"","fulltext":""}],"rejectedJournal":[],"revision":"","amendment":"","status":"posted","subjectAreas":[],"tags":[],"updatedAt":"2026-05-05T14:11:53+00:00","versionOfRecord":[],"versionCreatedAt":"2026-03-26 11:52:44","video":"","vorDoi":"","vorDoiUrl":"","workflowStages":[]},"version":"v1","identity":"rs-8930946","journalConfig":"researchsquare"},"__N_SSP":true},"page":"/article/[identity]/[[...version]]","query":{"redirect":"/article/rs-8930946","identity":"rs-8930946","version":["v1"]},"buildId":"XKTyCvWXoU3ODBz1xrDgd","isFallback":false,"isExperimentalCompile":false,"dynamicIds":[84888],"gssp":true,"scriptLoader":[]}