Synthesis and Molecular Docking Studies of 6-{2-(N-H/phenyl/tolyl) aminothiazol-4-yl} flavones and 6-{2-(N-H/phenyl/tolyl) aminothiazol-4-yl} flavones

Synthesis and Molecular Docking Studies of 6-{2-(N-H/phenyl/tolyl) aminothiazol-4-yl} flavones and 6-{2-(N-H/phenyl/tolyl) aminothiazol-4-yl} flavones | 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 Synthesis and Molecular Docking Studies of 6-{2-(N-H/phenyl/tolyl) aminothiazol-4-yl} flavones and 6-{2-(N-H/phenyl/tolyl) aminothiazol-4-yl} flavones Upasna Devi, Chitranshi Sharma, Abha Awasthi, Nalini Dwivedi This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-8948491/v1 This work is licensed under a CC BY 4.0 License Status: Under Review Version 1 posted 12 You are reading this latest preprint version Abstract In consideration of the flavones and docking studies, a new series of flavone derivatives have been synthesized in two steps reaction. The cyclo-condensation of compounds 6-chloroacetyl flavone with N-H/phenyl/tolyl thioureas was carried out via refluxing with ethanol to prepare (6-{2-(N-H/phenyl/tolyl) aminothiazol-4-yl} flavones (1–3). Treatment of 6-{2-(N-H/phenyl/tolyl) aminothiazol-4-yl} flavones with acetyl chloride for the acetylation reaction on the nitrogen atom of the NH 2 or NHR group in the thiazole ring gave 6-{2(N-H/aryl/tolyl-N-acyl) aminothiazol-4-yl} flavone compounds (4–6) with the 60–90% yields. All the synthesized compounds were docked with one anti-COVID-19 target (PDB: 6Y2E) The docking studies showed binding affinity of all the compounds. The pharmacokinetics studies were conducted with the help of pk CSM software, to help the estimation of the absorption, distribution, metabolism, and excretion (ADME) properties. chromone flavone NMR Spectra docking studies Full Text Additional Declarations No competing interests reported. Cite Share Download PDF Status: Under Review Version 1 posted Editorial decision: Revision requested 09 Apr, 2026 Reviews received at journal 09 Apr, 2026 Reviews received at journal 06 Apr, 2026 Reviews received at journal 01 Apr, 2026 Reviews received at journal 25 Mar, 2026 Reviewers agreed at journal 25 Mar, 2026 Reviewers agreed at journal 24 Mar, 2026 Reviewers agreed at journal 24 Mar, 2026 Reviewers invited by journal 24 Mar, 2026 Editor assigned by journal 14 Mar, 2026 Submission checks completed at journal 14 Mar, 2026 First submitted to journal 13 Mar, 2026 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. 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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-8948491","acceptedTermsAndConditions":true,"allowDirectSubmit":false,"archivedVersions":[],"articleType":"Research Article","associatedPublications":[],"authors":[{"id":611829070,"identity":"a7346cd6-13a7-47ec-ad38-1e3ffa79eb57","order_by":0,"name":"Upasna Devi","email":"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAZAAAAAyAQMAAABI0h/eAAAABlBMVEX///8AAABVwtN+AAAACXBIWXMAAA7EAAAOxAGVKw4bAAAA7ElEQVRIiWNgGAWjYFADdgbGBx+ANBs7sTp4mBmYDWeAtDCToIVNmgfEIqTF4Hbz488FNdvk7JmZH0jb/Nomz8fMwPjhYw4eLXeOmUnPOHbbmIeZzcA4t++2YRvQhZIzt+HRciPBjJmH7XZiDzODQXJuz21GoBY2Zl68WtI/f+b5B9LC/uGwZc9teyK05BhI87aBtPAYNjP8uJ1IUIvknTNl0rx9QL8c5ilm7G24ndzGzNiM1y98t9s3f+b5dluOvb19+48ff27bzm9vPvjhIx4tDBLIHMY2MNmARz26FoY/+BWPglEwCkbByAQAimlNsjONiI4AAAAASUVORK5CYII=","orcid":"","institution":"Raghunath Girls' Post Graduate College, Meerut","correspondingAuthor":true,"prefix":"","firstName":"Upasna","middleName":"","lastName":"Devi","suffix":""},{"id":611829071,"identity":"0fd192b2-20b4-4ca5-a2ef-5b5085daf02b","order_by":1,"name":"Chitranshi Sharma","email":"","orcid":"","institution":"Raghunath Girls' Post Graduate College, Meerut","correspondingAuthor":false,"prefix":"","firstName":"Chitranshi","middleName":"","lastName":"Sharma","suffix":""},{"id":611829073,"identity":"d289781e-d8f1-4db0-8827-3f17f9715a26","order_by":2,"name":"Abha Awasthi","email":"","orcid":"","institution":"Meerut College, Meerut","correspondingAuthor":false,"prefix":"","firstName":"Abha","middleName":"","lastName":"Awasthi","suffix":""},{"id":611829076,"identity":"31a740f4-8ebe-47db-91e7-bbbb2c87b3a2","order_by":3,"name":"Nalini Dwivedi","email":"","orcid":"","institution":"Raghunath Girls' Post Graduate College, Meerut","correspondingAuthor":false,"prefix":"","firstName":"Nalini","middleName":"","lastName":"Dwivedi","suffix":""}],"badges":[],"createdAt":"2026-02-23 15:08:55","currentVersionCode":1,"declarations":"","doi":"10.21203/rs.3.rs-8948491/v1","doiUrl":"https://doi.org/10.21203/rs.3.rs-8948491/v1","draftVersion":[],"editorialEvents":[],"editorialNote":"","failedWorkflow":false,"files":[{"id":105480397,"identity":"4e11ec0d-d27c-4e9b-a749-c9bcdeb187d0","added_by":"auto","created_at":"2026-03-26 13:36:35","extension":"pdf","order_by":1,"title":"","display":"","copyAsset":false,"role":"manuscript-pdf","size":797216,"visible":true,"origin":"","legend":"","description":"","filename":"PAPERdockingupdated.pdf","url":"https://assets-eu.researchsquare.com/files/rs-8948491/v1_covered_f1669c74-1236-4f36-abb1-573b639e54fa.pdf"}],"financialInterests":"No competing interests reported.","formattedTitle":"\u003cp\u003eSynthesis and Molecular Docking Studies of 6-{2-(N-H/phenyl/tolyl) aminothiazol-4-yl} flavones and 6-{2-(N-H/phenyl/tolyl) aminothiazol-4-yl} flavones\u003c/p\u003e","fulltext":[],"fulltextSource":"","fullText":"","funders":[],"hasAdminPriorityOnWorkflow":false,"hasManuscriptDocX":false,"hasOptedInToPreprint":true,"hasPassedJournalQc":"","hasAnyPriority":false,"hideJournal":false,"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":"discover-chemistry","isNatureJournal":false,"hasQc":true,"allowDirectSubmit":false,"externalIdentity":"","sideBox":"Learn more about [Discover Chemistry](https://link.springer.com/journal/44371)","snPcode":"44371","submissionUrl":"https://submission.nature.com/new-submission/44371/3","title":"Discover Chemistry","twitterHandle":"","acdcEnabled":true,"dfaEnabled":true,"editorialSystem":"stoa","reportingPortfolio":"Discover Series","inReviewEnabled":true,"inReviewRevisionsEnabled":true},"keywords":"chromone, flavone, NMR Spectra, docking studies","lastPublishedDoi":"10.21203/rs.3.rs-8948491/v1","lastPublishedDoiUrl":"https://doi.org/10.21203/rs.3.rs-8948491/v1","license":{"name":"CC BY 4.0","url":"https://creativecommons.org/licenses/by/4.0/"},"manuscriptAbstract":"\u003cp\u003eIn consideration of the flavones and docking studies, a new series of flavone derivatives have been synthesized in two steps reaction. 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