Investigating the Therapeutic Potential of Lepidium sativum-Derived Compounds in Prostate Cancer: An Integrative in Silico Approach

Investigating the Therapeutic Potential of Lepidium sativum-Derived Compounds in Prostate Cancer: An Integrative in Silico 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 Investigating the Therapeutic Potential of Lepidium sativum-Derived Compounds in Prostate Cancer: An Integrative in Silico Approach Said Bitam, Mabrouk Hamadache, Salah Hanini This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-7302675/v1 This work is licensed under a CC BY 4.0 License Status: Published Journal Publication published 06 Nov, 2025 Read the published version in In Silico Pharmacology → Version 1 posted 11 You are reading this latest preprint version Abstract This study investigates the therapeutic potential of bioactive compounds from Lepidium sativum in the treatment of prostate cancer. Through of in silico analyses, three key compounds were identified and evaluated for their drug-likeness, pharmacokinetic properties, and safety profiles. These compounds demonstrated favorable drug-likeness according to Lipinski's rules and other drug-likeness criteria, high gastrointestinal tract absorption, and non-inhibition of major Cytochromes P450 enzymes. Protein-protein interaction network analysis identified ten hub genes, with AKT1 and PIK3CA emerging as prime targets for therapeutic intervention. Functional annotation and pathway analysis highlighted key biological processes and pathways associated with prostate cancer, emphasizing the significance of these targets. Molecular docking and dynamic simulation studies further confirmed the binding affinities and stability of the identified compounds with both mutated and non-mutated forms of the target genes. These findings suggest that compounds from Lepidium sativum hold promise as potential therapeutics for prostate cancer, warranting further investigation and development. Lepidium sativum Prostate cancer Network pharmacology molecular dynamics Full Text Additional Declarations No competing interests reported. Supplementary Files SupplementaryFile.xlsx Cite Share Download PDF Status: Published Journal Publication published 06 Nov, 2025 Read the published version in In Silico Pharmacology → Version 1 posted Editorial decision: Revision requested 13 Oct, 2025 Reviews received at journal 12 Oct, 2025 Reviews received at journal 09 Oct, 2025 Reviewers agreed at journal 09 Oct, 2025 Reviews received at journal 07 Oct, 2025 Reviewers agreed at journal 07 Oct, 2025 Reviewers agreed at journal 05 Oct, 2025 Reviewers invited by journal 05 Oct, 2025 Editor assigned by journal 06 Aug, 2025 Submission checks completed at journal 06 Aug, 2025 First submitted to journal 05 Aug, 2025 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. 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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-7302675","acceptedTermsAndConditions":true,"allowDirectSubmit":false,"archivedVersions":[],"articleType":"Research Article","associatedPublications":[],"authors":[{"id":528955452,"identity":"465dabd7-82ea-4fa5-8d71-7591f2afca5d","order_by":0,"name":"Said 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Through of in silico analyses, three key compounds were identified and evaluated for their drug-likeness, pharmacokinetic properties, and safety profiles. These compounds demonstrated favorable drug-likeness according to Lipinski's rules and other drug-likeness criteria, high gastrointestinal tract absorption, and non-inhibition of major Cytochromes P450 enzymes. Protein-protein interaction network analysis identified ten hub genes, with AKT1 and PIK3CA emerging as prime targets for therapeutic intervention. Functional annotation and pathway analysis highlighted key biological processes and pathways associated with prostate cancer, emphasizing the significance of these targets. Molecular docking and dynamic simulation studies further confirmed the binding affinities and stability of the identified compounds with both mutated and non-mutated forms of the target genes. These findings suggest that compounds from Lepidium sativum hold promise as potential therapeutics for prostate cancer, warranting further investigation and development.\u003c/p\u003e","manuscriptTitle":"Investigating the Therapeutic Potential of Lepidium sativum-Derived Compounds in Prostate Cancer: An Integrative in Silico Approach","msid":"","msnumber":"","nonDraftVersions":[{"code":1,"date":"2025-10-20 16:46:12","doi":"10.21203/rs.3.rs-7302675/v1","editorialEvents":[{"type":"communityComments","content":0},{"type":"decision","content":"Revision requested","date":"2025-10-13T15:49:45+00:00","index":"","fulltext":""},{"type":"editorInvitedReview","content":"","date":"2025-10-13T03:55:49+00:00","index":"hide","fulltext":""},{"type":"editorInvitedReview","content":"","date":"2025-10-09T16:38:38+00:00","index":"hide","fulltext":""},{"type":"reviewerAgreed","content":"38620652530037562707045043116685246296","date":"2025-10-09T04:35:15+00:00","index":"hide","fulltext":""},{"type":"editorInvitedReview","content":"","date":"2025-10-07T05:29:00+00:00","index":"hide","fulltext":""},{"type":"reviewerAgreed","content":"78090285963267702891460044472027904256","date":"2025-10-07T04:51:40+00:00","index":"hide","fulltext":""},{"type":"reviewerAgreed","content":"93482594412400976534970736018211109920","date":"2025-10-06T03:44:29+00:00","index":"hide","fulltext":""},{"type":"reviewersInvited","content":"","date":"2025-10-06T00:09:39+00:00","index":"","fulltext":""},{"type":"editorAssigned","content":"","date":"2025-08-06T08:46:18+00:00","index":"","fulltext":""},{"type":"checksComplete","content":"","date":"2025-08-06T08:45:38+00:00","index":"","fulltext":""},{"type":"submitted","content":"In Silico Pharmacology","date":"2025-08-05T16:08:01+00:00","index":"","fulltext":""}],"status":"published","journal":{"display":true,"email":"[email protected]","identity":"in-silico-pharmacology","isNatureJournal":false,"hasQc":true,"allowDirectSubmit":false,"externalIdentity":"insp","sideBox":"Learn more about [In Silico Pharmacology](https://link.springer.com/journal/40203)","snPcode":"40203","submissionUrl":"https://submission.nature.com/new-submission/40203/3","title":"In Silico Pharmacology","twitterHandle":"","acdcEnabled":true,"dfaEnabled":true,"editorialSystem":"em","reportingPortfolio":"Springer Hybrid","inReviewEnabled":true,"inReviewRevisionsEnabled":false}}],"origin":"","ownerIdentity":"3c98c652-d521-41f2-ad72-4dab28fd44d3","owner":[],"postedDate":"October 20th, 2025","published":true,"recentEditorialEvents":[],"rejectedJournal":[],"revision":"","amendment":"","status":"published-in-journal","subjectAreas":[],"tags":[],"updatedAt":"2025-11-10T16:06:34+00:00","versionOfRecord":{"articleIdentity":"rs-7302675","link":"https://doi.org/10.1007/s40203-025-00482-7","journal":{"identity":"in-silico-pharmacology","isVorOnly":false,"title":"In Silico Pharmacology"},"publishedOn":"2025-11-06 15:57:30","publishedOnDateReadable":"November 6th, 2025"},"versionCreatedAt":"2025-10-20 16:46:12","video":"","vorDoi":"10.1007/s40203-025-00482-7","vorDoiUrl":"https://doi.org/10.1007/s40203-025-00482-7","workflowStages":[]},"version":"v1","identity":"rs-7302675","journalConfig":"researchsquare"},"__N_SSP":true},"page":"/article/[identity]/[[...version]]","query":{"redirect":"/article/rs-7302675","identity":"rs-7302675","version":["v1"]},"buildId":"8U1c8b4HqxoKbykW_rLl7","isFallback":false,"isExperimentalCompile":false,"dynamicIds":[84888],"gssp":true,"scriptLoader":[]}