Chemical composition, In vitro anti-inflammatory, antimicrobial, and molecular docking studies of Landolphia dulcis essential oils

Chemical composition, In vitro anti-inflammatory, antimicrobial, and molecular docking studies of Landolphia dulcis essential oils | 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 Article Chemical composition, In vitro anti-inflammatory, antimicrobial, and molecular docking studies of Landolphia dulcis essential oils Joseph Eleberi, Ganiyat Oloyede, Kingsley Orie, Mohammed Isiaka This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-7565948/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 The ethnomedicinal relevance of Landolphia dulcis suggests the presence of bioactive phytochemicals with pharmacological potential. This study investigated the anti-inflammatory and antimicrobial activities of essential oils extracted from the leaves and stems of Landolphia dulcis, integrating In vitro bioassays with molecular docking simulations to validate therapeutic potential. Essential oils were obtained by hydrodistillation and characterized using gas chromatography–mass spectrometry (GC–MS). Anti-inflammatory activity was evaluated via the egg albumin denaturation assay, while antimicrobial effects were assessed using the agar well microdilution method. Molecular docking was performed with PyRx software against protein targets. GC–MS profiling of leaf oil revealed major constituents such as n-hexadecanoic acid (15.39%), phytol (10.76%), eucalyptol (6.52%), and caryophyllene oxide (4.87%). Stem oil showed 2-methyl-5-(1-methylethyl)-phenol (34.79%), caryophyllene oxide (33.38%), eucalyptol (7.04%), and thymol (2.50%). Stem oil demonstrated stronger anti-inflammatory activity (72.85% inhibition of albumin denaturation at 2% concentration) compared to leaf oil (63.48%), approaching the efficacy of drug controls. Antimicrobial assays confirmed significant inhibition of pathogenic bacteria (Staphylococcus aureus, Escherichia coli, Salmonella typhi, Pseudomonas aeruginosa, Bacillus subtilis, Klebsiella pneumoniae) and fungi (Candida albicans, Aspergillus niger, Penicillium notatum, Rhizopus stolonifer). Docking analysis showed that caryophyllene oxide and phytol bound strongly to COX-2 (binding affinities –6.4 and –6.3 kcal/mol), supporting their anti-inflammatory potential, while thymol and n-hexadecanoic acid interacted with DNA gyrase B (binding affinities –5.7 and –5.1 kcal/mol), indicating antimicrobial potential. In conclusion, Landolphia dulcis essential oils possess promising anti-inflammatory and antimicrobial properties, providing a foundation for the development of novel therapeutic agents. Physical sciences/Chemistry/Medicinal chemistry/Drug discovery and development Physical sciences/Chemistry/Organic chemistry Anti-inflammatory Antimicrobial Essential Oils Landolphia dulcis Chemical Composition and Molecular Docking Full Text Additional Declarations There is NO Competing Interest. Supplementary Files Dockingresultforantiinflammation.pdf Docking result for anti-inflammation dockingresultsforantimicrobialconfirmation.pdf docking results for antimicrobial activity L.DulcisStemGCMS.pdf GC–MS profile of Landolphia dulcis stem essential oil L.DulcisLeafGCMS.pdf GC–MS chemical profile of Landolphia dulcis leaf essential oil 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. 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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-7565948","acceptedTermsAndConditions":true,"allowDirectSubmit":true,"archivedVersions":[],"articleType":"Article","associatedPublications":[],"authors":[{"id":512355511,"identity":"337e33c6-38ce-4831-abee-d2f364876e6c","order_by":0,"name":"Joseph 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This study investigated the anti-inflammatory and antimicrobial activities of essential oils extracted from the leaves and stems of Landolphia dulcis, integrating In vitro bioassays with molecular docking simulations to validate therapeutic potential.\u003c/p\u003e\n\u003cp\u003eEssential oils were obtained by hydrodistillation and characterized using gas chromatography–mass spectrometry (GC–MS). Anti-inflammatory activity was evaluated via the egg albumin denaturation assay, while antimicrobial effects were assessed using the agar well microdilution method. Molecular docking was performed with PyRx software against protein targets.\u003c/p\u003e\n\u003cp\u003eGC–MS profiling of leaf oil revealed major constituents such as n-hexadecanoic acid (15.39%), phytol (10.76%), eucalyptol (6.52%), and caryophyllene oxide (4.87%). Stem oil showed 2-methyl-5-(1-methylethyl)-phenol (34.79%), caryophyllene oxide (33.38%), eucalyptol (7.04%), and thymol (2.50%). 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