Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Faculty Publications Article Faculty Publications -Articles Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Creator An entity primarily responsible for making the resource Paul, Annika Maria; Nag, Anish; Niranjan, Vidya; Pooja, S. Title A name given to the resource Design space optimization for the extraction of anti-thrombin-rich phenolics and flavonoids from Justicia adhatoda L. using response surface methodology and in silico validation of their anti-thrombin activity Date A point or period of time associated with an event in the lifecycle of the resource 01-01-2025 Source A related resource from which the described resource is derived Chemical Papers;Volume;79;Issue;11;pp.7917-7937 Identifier An unambiguous reference to the resource within a given context <a href="https://doi.org/10.1007/s11696-025-04296-x" target="_blank" rel="noreferrer noopener">https://doi.org/10.1007/s11696-025-04296-x</a> <br /><br /><a href="https://www.scopus.com/pages/publications/105014628355?origin=resultslist" target="_blank" rel="noreferrer noopener">https://www.scopus.com/pages/publications/105014628355?origin=resultslist</a> Coverage The spatial or temporal topic of the resource, the spatial applicability of the resource, or the jurisdiction under which the resource is relevant Paul A.M., Department of Life Sciences, CHRIST University, Bangalore, 560029, India; Nag A., Department of Life Sciences, CHRIST University, Bangalore, 560029, India; Niranjan V., Research and Development, MIT Vishwaprayag University, Solapur, India; Pooja S., Department of Biotechnology, R V College of Engineering, Bangalore, 560059, India Description An account of the resource The study focused on optimizing the extraction of anti-thrombin phenolics and flavonoids from the stem and flower ofJusticia adhatoda(JA) using response surface methodology (RSM). Key factors utilized for the optimization included HCl concentration (0.11N), extract concentration (50150mg/mL), methanol proportion (0100%), and incubation temperature (32 2C for hot and 6 2C for cold). Fluorescence microscopy identified plant parts enriched with pharmacologically active compounds. The optimized extracts demonstrated substantial levels of phenolics, flavonoids and thrombin inhibitory activity across all samples. Antioxidant activity was measured using the DPPH and ABTS radical scavenging assays. Furthermore, multivariate optimization enhanced the antioxidant properties of the extracts. LCMS analysis of the optimized extracts fromJA(stem and flower) identified the presence of 22 compounds, with anti-thrombin polyphenols and flavonoids predominating, constituting approximately 30% and 35%, respectively. In silico studies, including molecular docking and dynamic simulations, revealed that the flavonoid Naringenin (?4.868kcalmol?1) had a higher inhibitory potential against the thrombin protein compared to the reference drug Dabigatran (?4.269kcalmol?1). This study demonstrated that flavonoids with significant anti-thrombin activity can be effectively extracted fromJ. adhatodastem and flower using this optimized extraction procedure. The Author(s), under exclusive licence to the Institute of Chemistry, Slovak Academy of Sciences 2025. Subject The topic of the resource Anti-thrombotic activity; Antioxidant; In silico; Justicia adhatoda; Phenolicsflavonoids Publisher An entity responsible for making the resource available Springer Science and Business Media Deutschland GmbH Relation A related resource ISSN: 3666352; CODEN: CHPAE Language A language of the resource English Type The nature or genre of the resource Article Rights Information about rights held in and over the resource Restricted Access; Hardcopy may be available in the library Format The file format, physical medium, or dimensions of the resource online