In-silico inhibitory Activities of Tribulusamide D Against Cannabinoid Receptor (CB1)

In-silico inhibitory Activities of Tribulusamide D Against Cannabinoid Receptor (CB1) | 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 inhibitory Activities of Tribulusamide D Against Cannabinoid Receptor (CB1) Isiaka MOHAMMED, Tomilayo Modupe KOMOLAFE, Adetoro Ajibike OSANYINBI, and 3 more This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-5299252/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 Many women experience the effect of excess endocannabinoid production in the body by noticing some changes such as anxiety, the effect on learning and memory, reproduction and sex, metabolism, growth, and development. Others take cannabinoids as drugs. Cannabinoids are known to have anti-depressant properties but are also inhibitors of sexual urges. Research has shown that cannabinoids reduce dopamine levels, hence the need to inhibit the activities of cannabinoid receptors found all over the body, especially the brain. This research focuses on in-silico inhibition of cannabinoid receptors which serve as a precursor to the metabolism of cannabinoids. A Cannabinoid Receptor (CB1) PDB was downloaded (7V3Z) from https://www.rcsb.org . The protein was prepared, the sitemap identified and the receptor grid generated too. Tribulusamide D (TD) is a natural product isolated from Tribullus terrestris and has been confirmed to have anti-inflammatory activities. TD was drawn using the 2-D sketcher and copied to the 3-D workspace of the maestro Schrodinger suite. The native ligand, 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol was used as the reference drug (since it acts as an agonist to the receptor) and was prepared using ligprep module. The prepared protein and ligands were docked using the ligand docking module of the Maestro Schrodinger suite. The docking of the ligands with CB1 shows that Tribulusamide D has a better docking score with a higher negative value than the reference drug and hence could enhance sexual urge when the desire is inhibited by excess cannabi. In-vivo and in-vitro research is recommended to confirm the inhibitory activities of Tribulusamide D against CB1 as predicted by this study. in-silico Cannabinoid 7V3Z Tribulusamide Schrodinger Suite 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. 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-5299252","acceptedTermsAndConditions":true,"allowDirectSubmit":true,"archivedVersions":[],"articleType":"Research Article","associatedPublications":[],"authors":[{"id":368264038,"identity":"734dba56-4d09-440b-9023-de59154b86bd","order_by":0,"name":"Isiaka MOHAMMED","email":"","orcid":"","institution":"University of Ibadan","correspondingAuthor":false,"prefix":"","firstName":"Isiaka","middleName":"","lastName":"MOHAMMED","suffix":""},{"id":368264039,"identity":"ba79320e-303a-4ce4-9fae-834270f61a50","order_by":1,"name":"Tomilayo Modupe KOMOLAFE","email":"","orcid":"","institution":"University of Ibadan","correspondingAuthor":false,"prefix":"","firstName":"Tomilayo","middleName":"Modupe","lastName":"KOMOLAFE","suffix":""},{"id":368264040,"identity":"50fc0b9a-c90d-4189-905b-091d27d7cb41","order_by":2,"name":"Adetoro Ajibike OSANYINBI","email":"","orcid":"","institution":"University of Ibadan","correspondingAuthor":false,"prefix":"","firstName":"Adetoro","middleName":"Ajibike","lastName":"OSANYINBI","suffix":""},{"id":368264041,"identity":"2cab79ca-dbc4-4b48-bbc1-fc4d42dd1de2","order_by":3,"name":"Alison Michael EBIEKPI","email":"","orcid":"","institution":"University of Ibadan","correspondingAuthor":false,"prefix":"","firstName":"Alison","middleName":"Michael","lastName":"EBIEKPI","suffix":""},{"id":368264042,"identity":"14836d8f-d032-4138-a5d4-f3693e283878","order_by":4,"name":"Olawale Kabir ADEKUNLE","email":"","orcid":"","institution":"University of Ibadan","correspondingAuthor":false,"prefix":"","firstName":"Olawale","middleName":"Kabir","lastName":"ADEKUNLE","suffix":""},{"id":368264043,"identity":"1122496b-e813-4791-91d8-709c4d67daf4","order_by":5,"name":"Ibrahim Adebayo OLADOSU","email":"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAZAAAAAyAQMAAABI0h/eAAAABlBMVEX///8AAABVwtN+AAAACXBIWXMAAA7EAAAOxAGVKw4bAAAAwUlEQVRIiWNgGAWjYDCCA0BcwcAgB2Y/IFrLGQYGYzA7gRQtiQ0gDlFa+I63P5M4UHM4fX7Y4YdAW+zkdBsIaJE8c8ZM4sCxw7kbb6cZALUkG5sdIKDF4EYOm/QHNqCW2QkgLQcStxHWkg502L/D6Yaz0z8QqyXBTOJg2+EEeekcIm0B+sXY4mBfuuEG6ZyCAwkGRPgFGGIPbxz4Zi0vPzt984cPFXZyBLUgXAhWaUCschCQbyBF9SgYBaNgFIwoAAC36E26IDuB9gAAAABJRU5ErkJggg==","orcid":"","institution":"University of Ibadan","correspondingAuthor":true,"prefix":"","firstName":"Ibrahim","middleName":"Adebayo","lastName":"OLADOSU","suffix":""}],"badges":[],"createdAt":"2024-10-20 16:08:09","currentVersionCode":1,"declarations":"","doi":"10.21203/rs.3.rs-5299252/v1","doiUrl":"https://doi.org/10.21203/rs.3.rs-5299252/v1","draftVersion":[],"editorialEvents":[],"editorialNote":"","failedWorkflow":false,"files":[{"id":68021914,"identity":"7f86bb6c-4797-456d-88f2-3dfd3a7a036d","added_by":"auto","created_at":"2024-11-01 12:16:52","extension":"pdf","order_by":1,"title":"","display":"","copyAsset":false,"role":"manuscript-pdf","size":1676978,"visible":true,"origin":"","legend":"","description":"","filename":"InsilicowithCB1.pdf","url":"https://assets-eu.researchsquare.com/files/rs-5299252/v1_covered_edb45673-b26a-4049-94ef-da04209362b7.pdf"}],"financialInterests":"No competing interests reported.","formattedTitle":"In-silico inhibitory Activities of Tribulusamide D Against Cannabinoid Receptor (CB1)","fulltext":[],"fulltextSource":"","fullText":"","funders":[],"hasAdminPriorityOnWorkflow":false,"hasManuscriptDocX":false,"hasOptedInToPreprint":true,"hasPassedJournalQc":"","hasAnyPriority":false,"hideJournal":true,"highlight":"","institution":"","isAcceptedByJournal":false,"isAuthorSuppliedPdf":true,"isDeskRejected":"","isHiddenFromSearch":false,"isInQc":false,"isInWorkflow":false,"isPdf":true,"isPdfUpToDate":true,"isWithdrawnOrRetracted":false,"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},"keywords":"in-silico, Cannabinoid, 7V3Z, Tribulusamide, Schrodinger Suite","lastPublishedDoi":"10.21203/rs.3.rs-5299252/v1","lastPublishedDoiUrl":"https://doi.org/10.21203/rs.3.rs-5299252/v1","license":{"name":"CC BY 4.0","url":"https://creativecommons.org/licenses/by/4.0/"},"manuscriptAbstract":"\u003cp\u003eMany women experience the effect of excess endocannabinoid production in the body by noticing some changes such as anxiety, the effect on learning and memory, reproduction and sex, metabolism, growth, and development. Others take cannabinoids as drugs. Cannabinoids are known to have anti-depressant properties but are also inhibitors of sexual urges. Research has shown that cannabinoids reduce dopamine levels, hence the need to inhibit the activities of cannabinoid receptors found all over the body, especially the brain. This research focuses on in-silico inhibition of cannabinoid receptors which serve as a precursor to the metabolism of cannabinoids. A Cannabinoid Receptor (CB1) PDB was downloaded (7V3Z) from \u003cspan class=\"ExternalRef\"\u003e\u003cspan class=\"RefSource\"\u003ehttps://www.rcsb.org\u003c/span\u003e\u003cspan address=\"https://www.rcsb.org\" targettype=\"URL\" class=\"RefTarget\"\u003e\u003c/span\u003e\u003c/span\u003e. The protein was prepared, the sitemap identified and the receptor grid generated too. Tribulusamide D (TD) is a natural product isolated from \u003cem\u003eTribullus terrestris\u003c/em\u003e and has been confirmed to have anti-inflammatory activities. TD was drawn using the 2-D sketcher and copied to the 3-D workspace of the maestro Schrodinger suite. The native ligand, \u003cb\u003e2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol\u003c/b\u003e was used as the reference drug (since it acts as an agonist to the receptor) and was prepared using ligprep module. The prepared protein and ligands were docked using the ligand docking module of the Maestro Schrodinger suite. The docking of the ligands with CB1 shows that Tribulusamide D has a better docking score with a higher negative value than the reference drug and hence could enhance sexual urge when the desire is inhibited by excess cannabi. In-vivo and in-vitro research is recommended to confirm the inhibitory activities of Tribulusamide D against CB1 as predicted by this study.\u003c/p\u003e","manuscriptTitle":"In-silico inhibitory Activities of Tribulusamide D Against Cannabinoid Receptor (CB1)","msid":"","msnumber":"","nonDraftVersions":[{"code":1,"date":"2024-10-30 05:02:09","doi":"10.21203/rs.3.rs-5299252/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":"4a99b5f7-047e-4157-9ed6-e6e1d8ade8a1","owner":[],"postedDate":"October 30th, 2024","published":true,"recentEditorialEvents":[],"rejectedJournal":[],"revision":"","amendment":"","status":"posted","subjectAreas":[],"tags":[],"updatedAt":"2024-11-01T12:08:27+00:00","versionOfRecord":[],"versionCreatedAt":"2024-10-30 05:02:09","video":"","vorDoi":"","vorDoiUrl":"","workflowStages":[]},"version":"v1","identity":"rs-5299252","journalConfig":"researchsquare"},"__N_SSP":true},"page":"/article/[identity]/[[...version]]","query":{"redirect":"/article/rs-5299252","identity":"rs-5299252","version":["v1"]},"buildId":"qtupq5eGEP_6zYnWcrvyt","isFallback":false,"isExperimentalCompile":false,"dynamicIds":[84888],"gssp":true,"scriptLoader":[]}