Exploring the Therapeutic Potential of Secondary Metabolites from Pogostemon cablin (Aceh Patchouli Oil) as Anti-Breast Cancer Agents: A Network Pharmacology, ADMET, and Molecular Docking Approach

Exploring the Therapeutic Potential of Secondary Metabolites from Pogostemon cablin (Aceh Patchouli Oil) as Anti-Breast Cancer Agents: A Network Pharmacology, ADMET, and Molecular Docking Approach | 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 Exploring the Therapeutic Potential of Secondary Metabolites from Pogostemon cablin (Aceh Patchouli Oil) as Anti-Breast Cancer Agents: A Network Pharmacology, ADMET, and Molecular Docking Approach Yendrian Rahmansyah, Wahyuni Amaliyah, Muhammad Razil, Shofiah Dina Fadlina, and 5 more This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-8476812/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 Breast cancer remains a major global health challenge with increasing incidence and mortality. Limitations of long-term therapies have driven the search for safer and more effective anticancer agents. Aceh patchouli oil (Pogostemon cablin Benth.) is rich in bioactive compounds, such as terpenoids and sesquiterpenes, with potential anticancer activity; however, its molecular mechanisms remain unclear. This study employed an in silico approach integrating network pharmacology, molecular docking, and ADMET evaluation to assess the multitarget potential of patchouli oil compounds against breast cancer. A total of 714 common targets between patchouli oil compounds and breast cancer–related proteins were identified, with AKT1 and EGFR identified as key targets involved in the PI3K/AKT, MAPK, Ras, and estrogen signaling pathways. Docking results indicated that several bioactive compounds could interact with AKT1 and EGFR, including one compound showing a stronger binding affinity toward EGFR than the control compound. ADMET evaluation revealed generally favorable drug-likeness profiles. These findings support the potential of Aceh patchouli oil as a multitarget anti-breast cancer candidate and warrant further in vitro and in vivo validation. Breast cancer Pogostemon cablin Aceh patchouli oil Network pharmacology Molecular docking ADMET Full Text Additional Declarations No competing interests reported. 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. 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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-8476812","acceptedTermsAndConditions":true,"allowDirectSubmit":true,"archivedVersions":[],"articleType":"Research Article","associatedPublications":[],"authors":[{"id":567253004,"identity":"dbb8a077-ba90-4799-a429-e27c5c209706","order_by":0,"name":"Yendrian 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