{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,7]],"date-time":"2026-07-07T21:44:49Z","timestamp":1783460689727,"version":"3.55.0"},"reference-count":74,"publisher":"Public Library of Science (PLoS)","issue":"12","license":[{"start":{"date-parts":[[2025,12,29]],"date-time":"2025-12-29T00:00:00Z","timestamp":1766966400000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":["www.plosone.org"],"crossmark-restriction":false},"short-container-title":["PLoS One"],"abstract":"<jats:p>\n                    Natural resources are vital for identifying novel treatments for noncommunicable diseases and multidrug-resistant pathogens.\n                    <jats:italic>Lagerstroemia speciosa (L. speciosa)<\/jats:italic>\n                    Linn. is traditionally used to manage conditions like diabetes, cancer, and oxidative stress-related diseases. Current studies frequently lack comprehensive bioactivity assessments coupled with molecular simulation analyses of\n                    <jats:italic>L. speciosa<\/jats:italic>\n                    leaf extracts. We aimed to assess the phytochemical profiling, bioactivity,\n                    <jats:italic>in silico<\/jats:italic>\n                    pharmacological properties, and molecular interactions of\n                    <jats:italic>L. speciosa<\/jats:italic>\n                    leaf extracts prepared using organic solvents. Methanol (5.1) and ethanol (4.3) extracts yielded the highest concentrations of total phenolics, flavonoids, and proanthocyanidins due to their high polarity indices. Antioxidant activities were robustly evaluated using DPPH, ABTS, superoxide, and nitric oxide assays, with the ethanol extract demonstrating significant free radical scavenging (IC\n                    <jats:sub>50<\/jats:sub>\n                    \u2009=\u200975.53 \u00b5g\/mL for DPPH). The methanol extract exhibited broad-spectrum antibacterial activity against multidrug-resistant strains, including\n                    <jats:italic>Escherichia coli<\/jats:italic>\n                    and\n                    <jats:italic>Staphylococcus aureus<\/jats:italic>\n                    , alongside moderate antifungal activity against\n                    <jats:italic>Candida albicans<\/jats:italic>\n                    and\n                    <jats:italic>Saccharomyces cerevisiae<\/jats:italic>\n                    . The brine shrimp lethality assay revealed moderate cytotoxicity (LC\n                    <jats:sub>50<\/jats:sub>\n                    \u2009=\u2009601.8 \u00b5g\/mL), suggesting potential anticancer properties likely mediated by bioactive compounds such as ellagic acid and gallic acid. Methanol and ethanol extracts of\n                    <jats:italic>L. speciosa<\/jats:italic>\n                    significantly inhibited \u03b1-amylase and \u03b1-glucosidase compared to standard acarbose, indicating substantial antidiabetic potential by delaying carbohydrate digestion and reducing postprandial glucose levels. Complementary molecular docking and ADME pharmacokinetic studies provided\n                    <jats:italic>in silico<\/jats:italic>\n                    support for the observed antioxidant, antimicrobial, antidiabetic, and chemopreventive activities. The compelling evidence collectively suggests that\n                    <jats:italic>L. speciosa<\/jats:italic>\n                    extracts are a promising source of bioactive compounds.\n                  <\/jats:p>","DOI":"10.1371\/journal.pone.0339566","type":"journal-article","created":{"date-parts":[[2025,12,29]],"date-time":"2025-12-29T18:24:14Z","timestamp":1767032654000},"page":"e0339566","update-policy":"https:\/\/doi.org\/10.1371\/journal.pone.corrections_policy","source":"Crossref","is-referenced-by-count":2,"title":["Integrating bioactivity and molecular simulations to explore the pharmacological landscape of Lagerstroemia speciosa leaf extract"],"prefix":"10.1371","volume":"20","author":[{"given":"Md Shajedul","family":"Haque","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Rubel","family":"Ahmad","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Bidhan Chandra","family":"Sarkar","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Manoshi","family":"Sana","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hasi Rani","family":"Saha","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0004-5911-5416","authenticated-orcid":true,"given":"Niranjan Kumar","family":"Sana","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"340","published-online":{"date-parts":[[2025,12,29]]},"reference":[{"key":"pone.0339566.ref001","unstructured":"WHO GS. 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