{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,15]],"date-time":"2026-09-15T17:18:45Z","timestamp":1789492725416,"version":"build-2803163510"},"reference-count":48,"publisher":"Wiley","issue":"10","license":[{"start":{"date-parts":[[2025,6,5]],"date-time":"2025-06-05T00:00:00Z","timestamp":1749081600000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"},{"start":{"date-parts":[[2025,6,5]],"date-time":"2025-06-05T00:00:00Z","timestamp":1749081600000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Chemistry &amp;amp; Biodiversity"],"published-print":{"date-parts":[[2025,10]]},"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:p>\n                    This study investigated the flavonoid compounds and their biological activities in methanol extracts obtained from root, stem, leaf, and flower parts of\n                    <jats:italic>Amaranthus retroflexus<\/jats:italic>\n                    L. Flavonoids in the extracts were characterized for the first time by liquid chromatography\u2013highresolution mass spectrometry (LC\u2013HRMS), and a total of eight flavonoid derivatives were identified. The extracts\u2019 total antioxidant status (TAS) and total oxidant status (TOS) were determined, and the results were expressed as mM Trolox equivalent\/L and \u00b5M H\n                    <jats:sub>2<\/jats:sub>\n                    O\n                    <jats:sub>2<\/jats:sub>\n                    equivalent\/L. According to our findings, all extracts showed high antioxidant activity, with a TAS value &gt;2.0, mainly the root extract, which exhibited the highest activity, with a value of 3.632\u00a0mM Trolox equivalent\/L. In addition, all extracts showed in vitro inhibition of acetylcholinesterase (AChE) enzyme. In DNA protection tests performed by gel electrophoresis, it was observed that the extracts could effectively protect plasmid DNA against oxidative damage. In silico evaluations assessed the binding affinities, dynamic stability, and pharmacokinetic profiles of luteolin\u20107\u2010rutinoside, rutin, hyperoside, and quercitrin to AChE. ADMET analyses, molecular docking, and MD simulation (100\u00a0ns) revealed that luteolin\u20107\u2010rutinoside and rutin exhibited high binding affinity and stable stability, but all compounds required structure optimization and formulation strategies due to poor absorption and high risk of drug\u2010induced liver injury (DILI).\n                  <\/jats:p>","DOI":"10.1002\/cbdv.202500713","type":"journal-article","created":{"date-parts":[[2025,6,5]],"date-time":"2025-06-05T13:58:48Z","timestamp":1749131928000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Flavonoid Profile, Biological Potentials, and In Silico Approaches of Methanol Extracts on AChE:\n                    <i>Amaranthus retroflexus<\/i>\n                    L."],"prefix":"10.1002","volume":"22","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-5819-4894","authenticated-orcid":false,"given":"Bedrettin","family":"Selvi","sequence":"first","affiliation":[{"name":"Department of Biology, Faculty of Arts and Sciences Tokat Gaziosmanpasa University  Tokat T\u00fcrkiye"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"G\u00fcler","family":"Durmu\u015f","sequence":"additional","affiliation":[{"name":"Department of Biology, Faculty of Arts and Sciences Tokat Gaziosmanpasa University  Tokat T\u00fcrkiye"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mustafa","family":"Ceylan","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Faculty of Arts and Sciences Tokat Gaziosmanpasa University  Tokat T\u00fcrkiye"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"\u015euheda","family":"Y\u0131ld\u0131r\u0131m","sequence":"additional","affiliation":[{"name":"Department of Pharmacognosy, Faculty of Pharmacy Sivas Cumhuriyet University  Sivas T\u00fcrkiye"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"\u00dcmit M.","family":"Ko\u00e7yi\u011fit","sequence":"additional","affiliation":[{"name":"Department of Biochemistry, Faculty of Pharmacy Sivas Cumhuriyet University  Sivas T\u00fcrkiye"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"\u00dcmit","family":"Y\u0131rt\u0131c\u0131","sequence":"additional","affiliation":[{"name":"Department of Medical Laboratory, Vocational School of Health Services K\u0131r\u0131kkale University  K\u0131r\u0131kkale T\u00fcrkiye"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Volkan","family":"Ey\u00fcpo\u011flu","sequence":"additional","affiliation":[{"name":"Department of Chemistry Cank\u0131r\u0131 Karatekin University  \u00c7ank\u0131r\u0131 T\u00fcrkiye"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2025,6,5]]},"reference":[{"key":"e_1_2_10_2_1","doi-asserted-by":"publisher","DOI":"10.1201\/9781003226925-4"},{"key":"e_1_2_10_3_1","doi-asserted-by":"publisher","DOI":"10.1201\/9781003226925-10"},{"key":"e_1_2_10_4_1","doi-asserted-by":"publisher","DOI":"10.31254\/phyto.2020.9410"},{"key":"e_1_2_10_5_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jep.2021.114547"},{"key":"e_1_2_10_6_1","doi-asserted-by":"publisher","DOI":"10.3390\/molecules27092899"},{"key":"e_1_2_10_7_1","doi-asserted-by":"publisher","DOI":"10.3390\/molecules28031463"},{"key":"e_1_2_10_8_1","doi-asserted-by":"publisher","DOI":"10.1080\/19476337.2020.1716850"},{"key":"e_1_2_10_9_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbrc.2025.151328"},{"key":"e_1_2_10_10_1","doi-asserted-by":"publisher","DOI":"10.3389\/fpls.2021.593037"},{"key":"e_1_2_10_11_1","doi-asserted-by":"publisher","DOI":"10.3390\/agronomy11040728"},{"key":"e_1_2_10_12_1","doi-asserted-by":"publisher","DOI":"10.1093\/jpe\/rtae101"},{"key":"e_1_2_10_13_1","volume-title":"Nutritional Value of Amaranth","author":"Ogwu M. 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