Synthesis, Molecular Docking, and Peroxidase Modulatory Activity of Novel Sulphonamide-Functionalised Aspartic Acid Carboxamides

Synthesis, Molecular Docking, and Peroxidase Modulatory Activity of Novel Sulphonamide-Functionalised Aspartic Acid Carboxamides | 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, Molecular Docking, and Peroxidase Modulatory Activity of Novel Sulphonamide-Functionalised Aspartic Acid Carboxamides Uwem Godswill Uduak, Kingsley Nnemeka Okah, Ozoemena Emmanuel Eje, and 2 more This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-8762707/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 Oxidative stress occurs when the production of oxygen radicals exceeds the neutralizing ability of antioxidants, triggering cellular processes such as apoptosis, tumor development, and immune system activation. In this study, six novel derivatives of aspartic acid carboxamides (11a-f) were synthesized using phenylboronic acid as a coupling agent of benzene sulphonyl chloride and aspartic acid. Biophysical characterization of the synthesized amides employed the FTIR, 1 H, and 13 C NMR spectroscopic techniques. The amide derivatives exhibited 2,2-diphenyl-1-picrylhydrazyl (DPPH) scavenging property with IC 50 values of 159.96, 51.94, 99.74, 91.99, and 114.17 µg/ml for the synthesized compounds 11a, 11b, 11c, 11d, 11e, and 11f, compared to 13.38 µg/ml of ascorbic acid standard. The peroxidase modulatory activity assay showed that compounds 11a and b had the maximum peroxidase activation potential in a concentration-dependent manner. However, 11c, d, e, and f inhibited peroxidase activity. Molecular docking studies confirmed that compounds 11a and b possess high affinity with the lowest binding energy of -9.5 and − 10.0 kcal/mol, respectively. The ADMET analysis revealed that the synthesized compounds obeyed the Lipinski rule of five as potential drug candidates. Therefore, these compounds could be employed as potential drug candidates for combating oxidative stress, inflammation, and auto-oxidation of biological membranes for therapeutic intervention. Drug Discovery, Design, & Development carboxamides sulphonamides peroxidase spectroscopy antioxidants molecular docking Full Text Additional Declarations The authors declare no competing interests. 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-8762707","acceptedTermsAndConditions":true,"allowDirectSubmit":true,"archivedVersions":[],"articleType":"Research Article","associatedPublications":[],"authors":[{"id":584176478,"identity":"c8d9873c-7b1f-41c1-af5c-2f9411626a5d","order_by":0,"name":"Uwem Godswill 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the production of oxygen radicals exceeds the neutralizing ability of antioxidants, triggering cellular processes such as apoptosis, tumor development, and immune system activation. In this study, six novel derivatives of aspartic acid carboxamides (11a-f) were synthesized using phenylboronic acid as a coupling agent of benzene sulphonyl chloride and aspartic acid. Biophysical characterization of the synthesized amides employed the FTIR, \u003csup\u003e1\u003c/sup\u003eH, and \u003csup\u003e13\u003c/sup\u003eC NMR spectroscopic techniques. The amide derivatives exhibited 2,2-diphenyl-1-picrylhydrazyl (DPPH) scavenging property with IC\u003csub\u003e50\u003c/sub\u003e values of 159.96, 51.94, 99.74, 91.99, and 114.17 \u0026micro;g/ml for the synthesized compounds 11a, 11b, 11c, 11d, 11e, and 11f, compared to 13.38 \u0026micro;g/ml of ascorbic acid standard. The peroxidase modulatory activity assay showed that compounds 11a and b had the maximum peroxidase activation potential in a concentration-dependent manner. However, 11c, d, e, and f inhibited peroxidase activity. Molecular docking studies confirmed that compounds 11a and b possess high affinity with the lowest binding energy of -9.5 and \u0026minus;\u0026thinsp;10.0 kcal/mol, respectively. The ADMET analysis revealed that the synthesized compounds obeyed the Lipinski rule of five as potential drug candidates. 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