{"paper_id":"31d09209-fd01-4253-a65e-49062d4fe33b","body_text":"Assessment of antimicrobial activity by LC-HRMS profiling and Molecular Docking of Bioactive Compounds from Dytiscus marginalis, an aquatic coleopteran | 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 Assessment of antimicrobial activity by LC-HRMS profiling and Molecular Docking of Bioactive Compounds from Dytiscus marginalis, an aquatic coleopteran Pallavi Rabha, Shubam Sinha, Nerswn Basumatary, Trisha Sonowal, and 2 more This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-8582939/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 Background The rapid rise in antibiotic resistance highlights the need for new antimicrobial agents. Dytiscus marginalis , an aquatic insect consumed in Northeast India, was evaluated for antimicrobial activity. Extracts from five solvents were tested against Pseudomonas aeruginosa, Proteus mirabilis, Enterobacter aerogenes, and Escherichia coli using the disc diffusion method. The methanol extract was further analysed by LC–HRMS, followed by molecular docking against LasR (PDB ID: 2UV0) and Swiss ADME screening for binding affinity, pharmacokinetics and drug-likeness. Results Acidified extracts prepared with polar solvents exhibited strong inhibitory activity against all tested bacterial strains. LC-HRMS profiling revealed 180 bioactive compounds in the methanol extract. Molecular docking demonstrated binding affinities ranging from –3.0 to –10.0 kcal/mol indicating notable interactions between the identified compounds and LasR. Swiss ADME analysis further supported the therapeutic relevance of several compounds. Conclusion The study highlights Dytiscus marginalis as a promising natural source of bioactive molecules with significant antimicrobial potential. These findings justify further investigation to isolate, purify and validate specific compounds for future drug development. Dytiscus marginalis Antimicrobial activity LC-HRMS LasR Swiss ADME 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-8582939\",\"acceptedTermsAndConditions\":true,\"allowDirectSubmit\":true,\"archivedVersions\":[],\"articleType\":\"Research Article\",\"associatedPublications\":[],\"authors\":[{\"id\":575216612,\"identity\":\"013a3554-1071-451b-acec-9e285022d17c\",\"order_by\":0,\"name\":\"Pallavi Rabha\",\"email\":\"\",\"orcid\":\"\",\"institution\":\"Bodoland University\",\"correspondingAuthor\":false,\"prefix\":\"\",\"firstName\":\"Pallavi\",\"middleName\":\"\",\"lastName\":\"Rabha\",\"suffix\":\"\"},{\"id\":575216613,\"identity\":\"43efa10f-0780-48c7-bbcb-23fafcd89f22\",\"order_by\":1,\"name\":\"Shubam 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Docking of Bioactive Compounds from Dytiscus marginalis, an aquatic coleopteran\",\"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\":\"info@researchsquare.com\",\"identity\":\"researchsquare\",\"isNatureJournal\":false,\"hasQc\":true,\"allowDirectSubmit\":true,\"externalIdentity\":\"\",\"sideBox\":\"\",\"snPcode\":\"\",\"submissionUrl\":\"/submission\",\"title\":\"Research 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Extracts from five solvents were tested against \\u003cem\\u003ePseudomonas aeruginosa, Proteus mirabilis, Enterobacter aerogenes,\\u003c/em\\u003e and \\u003cem\\u003eEscherichia coli\\u003c/em\\u003e using the disc diffusion method. The methanol extract was further analysed by LC–HRMS, followed by molecular docking against LasR (PDB ID: 2UV0) and Swiss ADME screening for binding affinity, pharmacokinetics and drug-likeness.\\u003c/p\\u003e\\n\\u003cp\\u003e\\u003cstrong\\u003eResults \\u003c/strong\\u003eAcidified extracts prepared with polar solvents exhibited strong inhibitory activity against all tested bacterial strains. LC-HRMS profiling revealed 180 bioactive compounds in the methanol extract. Molecular docking demonstrated binding affinities ranging from –3.0 to –10.0 kcal/mol indicating notable interactions between the identified compounds and LasR. Swiss ADME analysis further supported the therapeutic relevance of several compounds.\\u003c/p\\u003e\\n\\u003cp\\u003e\\u003cstrong\\u003eConclusion\\u003c/strong\\u003e The study highlights \\u003cem\\u003eDytiscus marginalis\\u003c/em\\u003e as a promising natural source of bioactive molecules with significant antimicrobial potential. These findings justify further investigation to isolate, purify and validate specific compounds for future drug development.\\u003c/p\\u003e\",\"manuscriptTitle\":\"Assessment of antimicrobial activity by LC-HRMS profiling and Molecular Docking of Bioactive Compounds from Dytiscus marginalis, an aquatic coleopteran\",\"msid\":\"\",\"msnumber\":\"\",\"nonDraftVersions\":[{\"code\":1,\"date\":\"2026-01-19 15:12:55\",\"doi\":\"10.21203/rs.3.rs-8582939/v1\",\"editorialEvents\":[{\"type\":\"communityComments\",\"content\":0}],\"status\":\"published\",\"journal\":{\"display\":true,\"email\":\"info@researchsquare.com\",\"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\":\"4a0908a9-cb66-40bd-ba45-41484b968ec4\",\"owner\":[],\"postedDate\":\"January 19th, 2026\",\"published\":true,\"recentEditorialEvents\":[],\"rejectedJournal\":[],\"revision\":\"\",\"amendment\":\"\",\"status\":\"posted\",\"subjectAreas\":[],\"tags\":[],\"updatedAt\":\"2026-01-19T15:12:55+00:00\",\"versionOfRecord\":[],\"versionCreatedAt\":\"2026-01-19 15:12:55\",\"video\":\"\",\"vorDoi\":\"\",\"vorDoiUrl\":\"\",\"workflowStages\":[]},\"version\":\"v1\",\"identity\":\"rs-8582939\",\"journalConfig\":\"researchsquare\"},\"__N_SSP\":true},\"page\":\"/article/[identity]/[[...version]]\",\"query\":{\"redirect\":\"/article/rs-8582939\",\"identity\":\"rs-8582939\",\"version\":[\"v1\"]},\"buildId\":\"XKTyCvWXoU3ODBz1xrDgd\",\"isFallback\":false,\"isExperimentalCompile\":false,\"dynamicIds\":[84888],\"gssp\":true,\"scriptLoader\":[]}","source_license":"CC-BY-4.0","license_restricted":false}