{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,16]],"date-time":"2026-10-16T01:13:46Z","timestamp":1792113226372,"version":"4.4.0"},"reference-count":73,"publisher":"Frontiers Media SA","license":[{"start":{"date-parts":[[2026,7,22]],"date-time":"2026-07-22T00:00:00Z","timestamp":1784678400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":["frontiersin.org"],"crossmark-restriction":true},"short-container-title":["Front. Chem."],"abstract":"<jats:p>\n                    The medicinal plant\n                    <jats:italic>Rungia repens (L.) Nees<\/jats:italic>\n                    (Acanthaceae) is commonly known as\n                    <jats:italic>kodagasalai<\/jats:italic>\n                    in Tamil. It is recognized for its antipyretic, diuretic, anti-inflammatory, and vermifunge properties. The present study is primarily focused on identifying the phytocompounds and evaluating the antioxidant activity and cytotoxicity of\n                    <jats:italic>R. repens<\/jats:italic>\n                    leaf extract.\n                    <jats:italic>In silico<\/jats:italic>\n                    molecular docking studies were performed for SarA, an anti-virulence target of\n                    <jats:italic>Staphylococcus aureus<\/jats:italic>\n                    , and pharmacokinetic prediction was carried out to identify a suitable compound for drug delivery. The total flavonoid (TFC), phenolic content (TPC), and antioxidant activity of the ethanol extract were found to be 65.31 \u00b1 7.2\u00a0mg QUE\/g, 202.40 \u00b1 2.97\u00a0mg GAE\/g, and 76.166% \u00b1 0.15% radical-scavenging activity, respectively, with an IC\n                    <jats:sub>50<\/jats:sub>\n                    value of 311.9 \u00b1 1.27\u00a0\u03bcg\/mL. The extract exhibited no toxic effects up to 250\u00a0\u03bcg\/mL against L929 cell line. GC-MS analysis identified 19 phytoconstituents in the\n                    <jats:italic>R. repens<\/jats:italic>\n                    ethanol leaf extract. Antibacterial activity against\n                    <jats:italic>S. aureus<\/jats:italic>\n                    exhibited an inhibition zone of 14 \u00b1 1.73\u00a0mm. Phthalic acid, butyl undecyl ester showed a binding energy of \u221210.0\u00a0kcal\/mol against SarA of\n                    <jats:italic>S. aureus<\/jats:italic>\n                    . ADME prediction revealed suitable phytocompounds of\n                    <jats:italic>R. repens<\/jats:italic>\n                    for drug development. Overall, the results indicate that\n                    <jats:italic>R. repens<\/jats:italic>\n                    has abundant compounds with biological activity and offers a source for drug development and delivery strategies.\n                  <\/jats:p>","DOI":"10.3389\/fchem.2026.1778720","type":"journal-article","created":{"date-parts":[[2026,7,22]],"date-time":"2026-07-22T05:52:49Z","timestamp":1784699569000},"update-policy":"https:\/\/doi.org\/10.3389\/crossmark-policy","source":"Crossref","is-referenced-by-count":1,"title":["GC-MS profiling, in vitro antioxidant and toxicity evaluation, and in silico pharmacokinetic and molecular docking prediction of the phytocompounds of Rungia repens (L.) Nees targeting SarA of Staphylococcus aureus"],"prefix":"10.3389","volume":"14","author":[{"given":"Vaidagi","family":"Balaji","sequence":"first","affiliation":[{"name":"School of Bio-Sciences and Technology (SBST), Vellore Institute of Technology (VIT)","place":["Vellore, Tamilnadu, India"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Gayathri","family":"Mahalingam","sequence":"additional","affiliation":[{"name":"School of Bio-Sciences and Technology (SBST), Vellore Institute of Technology (VIT)","place":["Vellore, Tamilnadu, India"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1965","published-online":{"date-parts":[[2026,7,22]]},"reference":[{"key":"B1","doi-asserted-by":"publisher","first-page":"3285","DOI":"10.1038\/s41598-024-79559-w","article-title":"Unveiling the biological activities of Heliotropium indicum L. plant extracts: anti-inflammatory activities, GC\u2013MS analysis, and in-silico molecular docking","volume":"15","author":"Afroz Shoily","year":"2025","journal-title":"Sci. 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