New molecules candidates with semicarbazide scaffold – anticancer potential in view of research on their physicochemical properties and antioxidant activity

New molecules candidates with semicarbazide scaffold – anticancer potential in view of research on their physicochemical properties and antioxidant activity | 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 New molecules candidates with semicarbazide scaffold – anticancer potential in view of research on their physicochemical properties and antioxidant activity Łucja Justyna Walczak, Marta Arczewska, Zbigniew Karczmarzyk, and 6 more This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-7455454/v1 This work is licensed under a CC BY 4.0 License Status: Published Journal Publication published 05 Mar, 2026 Read the published version in Pharmacological Reports → Version 1 posted 18 You are reading this latest preprint version Abstract Developing semicarbazide-based compounds as potential therapeutic agents is a promising direction in medicinal chemistry, particularly in the context of anticancer drug design. This study reports the synthesis and comprehensive physicochemical characterization of a series of novel semicarbazide derivatives ( AW8, AW12, AW19, AW23, AW33, AW38 ). Their molecular structures and tautomeric forms in the crystalline state were elucidated using single-crystal X-ray diffraction and supported by detailed FTIR spectroscopic analysis. The compounds exhibited distinct hydrogen-bonding patterns, conformational preferences depending on their substituent type and characteristic intermolecular interactions governing their crystal packing as confirmed by Hirshfeld surface analysis. Incorporation into DPPC-based model lipid membranes was evaluated using ATR-FTIR and Langmuir monolayer techniques. AW8 and AW12 showed the strongest interactions with the phospholipid model membrane, inducing significant spectral alterations and surface pressure changes, indicative of membrane affinity modulated by chlorine substitution. ADMET predictions revealed favourable pharmacokinetic properties, including blood-brain barrier permeability for selected derivatives and inhibition of P-glycoprotein, a key mediator of multidrug resistance. Antioxidant potential was assessed by DPPH and ABTS assays, demonstrating moderate free radical scavenging activity. These findings suggest that the studied semicarbazides exhibit promising bioactivity and physicochemical features supporting further biological evaluation as membrane-active drug candidates. semicarbazide anticancer drug ADMET medicinal chemistry Full Text Additional Declarations No competing interests reported. Supplementary Files Supplementarymaterial.docx Cite Share Download PDF Status: Published Journal Publication published 05 Mar, 2026 Read the published version in Pharmacological Reports → Version 1 posted Editorial decision: Revision requested 22 Oct, 2025 Reviews received at journal 16 Sep, 2025 Reviews received at journal 15 Sep, 2025 Reviews received at journal 15 Sep, 2025 Reviewers agreed at journal 10 Sep, 2025 Reviewers agreed at journal 08 Sep, 2025 Reviewers agreed at journal 08 Sep, 2025 Reviews received at journal 05 Sep, 2025 Reviewers agreed at journal 05 Sep, 2025 Reviewers agreed at journal 04 Sep, 2025 Reviews received at journal 03 Sep, 2025 Reviewers agreed at journal 03 Sep, 2025 Reviewers agreed at journal 03 Sep, 2025 Reviewers agreed at journal 03 Sep, 2025 Reviewers invited by journal 02 Sep, 2025 Editor assigned by journal 27 Aug, 2025 Submission checks completed at journal 26 Aug, 2025 First submitted to journal 25 Aug, 2025 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-7455454","acceptedTermsAndConditions":true,"allowDirectSubmit":false,"archivedVersions":[],"articleType":"Research Article","associatedPublications":[],"authors":[{"id":512026537,"identity":"bfd8e3ad-ed66-4932-b17e-b61eb32e295d","order_by":0,"name":"Łucja Justyna 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