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We identified 27 phytoconstituents in SNE using Gas Chromatography Mass Spectrometry (GC\u2010MS), where aniline, dibutyl phthalate, and isoquinoline are noteworthy. Anxiolytic assessments by hole board test (HBT) and elevated plus maze test (EPMT) demonstrated dose\u2010dependent effects of nonpolar and polar fractions of SNE. Both fractions also exhibited minimal cytotoxicity in brine shrimp lethality test. SNE crude extract demonstrated good antioxidant properties. In silico analysis revealed promising binding affinities of aniline and isoquinoline with target protein molecules responsible for anxiolytic and antidepressive effects. Molecular dynamics (MD) modelling and quantitative chemical\u2010based DFT approaches confirmed satisfactory pharmacokinetics (PK) and toxicity profiles for the selected medications. HOMO\u2010LUMO analysis highlighted the remarkable features of the chosen components. MD studies also supported aniline and isoquinoline as potential candidates requiring further pharmacological validation due to their interactions with chimeric alpha1GABA\n                    <jats:sub>A<\/jats:sub>\n                    receptor proteins. Our data provided promising drug\u2010like phytoconstituents in the\n                    <jats:italic>S. nobilis<\/jats:italic>\n                    leaf offering future drug discovery in mental health treatment.\n                  <\/jats:p>","DOI":"10.1002\/cbdv.71776","type":"journal-article","created":{"date-parts":[[2026,10,10]],"date-time":"2026-10-10T06:25:55Z","timestamp":1791613555000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Phytochemical Fingerprinting of\n                    <i>Sanchezia nobilis<\/i>\n                    Hook. F. Leaf Extract and Evaluation of Anxiolytic, Cytotoxic, and Antioxidant Activities In Vivo, In Vitro, and In Silico"],"prefix":"10.1002","volume":"23","author":[{"given":"Progga Paramita","family":"Paul","sequence":"first","affiliation":[{"name":"Pharmacy Discipline Life Sciences School Khulna University  Khulna Bangladesh"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Musfiqur Rahman","family":"Sakib","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Sciences North South University  Dhaka Bangladesh"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Pritam","family":"Kundu","sequence":"additional","affiliation":[{"name":"Pharmacy Discipline Life Sciences School Khulna University  Khulna Bangladesh"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0003-9143-9499","authenticated-orcid":false,"given":"Dabashis","family":"Chakraborty","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Sciences North South University  Dhaka Bangladesh"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Tasnim","family":"Fatema","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Sciences North South University  Dhaka Bangladesh"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0006-8957-0350","authenticated-orcid":false,"given":"Shahriar","family":"Hossen","sequence":"additional","affiliation":[{"name":"Pharmacy Discipline Life Sciences School Khulna University  Khulna Bangladesh"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3839-2145","authenticated-orcid":false,"given":"Ahsan","family":"Abid","sequence":"additional","affiliation":[{"name":"Department of Pharmacy Jashore University of Science and Technology  Jashore Bangladesh"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7979-9852","authenticated-orcid":false,"given":"Trina","family":"Mitra","sequence":"additional","affiliation":[{"name":"Department of Pharmacy Jashore University of Science and Technology  Jashore Bangladesh"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0946-3816","authenticated-orcid":false,"given":"Manik Chandra","family":"Shill","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Sciences North South University  Dhaka Bangladesh"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5243-0163","authenticated-orcid":false,"given":"Utpal Kumar","family":"Karmakar","sequence":"additional","affiliation":[{"name":"Pharmacy Discipline Life Sciences School Khulna University  Khulna Bangladesh"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2026,10,9]]},"reference":[{"key":"e_1_2_11_2_1","doi-asserted-by":"crossref","first-page":"1","DOI":"10.3390\/biom16010129","article-title":"Artificial Intelligence for Natural Products Drug Discovery in Neurodegenerative Therapies\u00a0: A Review","volume":"16","author":"Fontanella F.","year":"2026","journal-title":"Biomolecules"},{"key":"e_1_2_11_3_1","doi-asserted-by":"publisher","DOI":"10.1007\/s11739\u2010026\u201004425\u20108"},{"key":"e_1_2_11_4_1","doi-asserted-by":"publisher","DOI":"10.12982\/CMJS.2026.038"},{"issue":"3","key":"e_1_2_11_5_1","first-page":"17","article-title":"Herbal Abortifacients as Natural Alternatives to Synthetic Drugs: A Review on Efficacy, Safety, and Mechanisms","volume":"26","author":"Wagh S. 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