{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,20]],"date-time":"2026-06-20T20:31:08Z","timestamp":1781987468380,"version":"3.54.5"},"reference-count":55,"publisher":"MDPI AG","issue":"7","license":[{"start":{"date-parts":[[2025,3,29]],"date-time":"2025-03-29T00:00:00Z","timestamp":1743206400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["IJMS"],"abstract":"<jats:p>Alzheimer\u2019s disease is characterized by the degeneration of cholinergic neurons, which is primarily driven by the acetylcholinesterase (AChE) enzyme and oxidative stress. This study investigated the therapeutic potential of the cannabis-containing herbal remedy Suk-Saiyasna in alleviating amyloid \u03b242 (A\u03b242)-induced cytotoxicity in SH-SY5Y cells. The DPPH radical-scavenging activity and inhibitory effects on AChE were evaluated in vitro. The AChE inhibitory potential of 167 ligands, including cannabinoids, flavonoids, terpenoids, and alkaloids derived from Suk-Saiyasna, was assessed using ADMET analysis and molecular docking techniques. The results demonstrated that the Suk-Saiyasna extract exhibited a DPPH radical scavenging effect with an IC50 value of 27.40 \u00b1 1.15 \u00b5g\/mL and notable AChE inhibitory activity with an IC50 of 1.25 \u00b1 0.35 mg\/mL. Importantly, at a concentration of 1 \u00b5g\/mL, the extract significantly protected cells from A\u03b242-induced stress compared to controls. Docking studies revealed that delta-9-tetrahydrocannabinol (\u03949-THC), mesuaferrone B, piperine, \u03b2-sitosterol, and chlorogenic acid exhibited substantial binding affinities to AChE, surpassing reference drugs like galantamine and rivastigmine. Furthermore, in silico ADMET predictions indicated that \u03949-THC and piperine possessed favorable pharmacokinetic profiles, including solubility, absorption, and blood\u2013brain barrier permeability, with no neurotoxicity or carcinogenicity associated with \u03949-THC.<\/jats:p>","DOI":"10.3390\/ijms26073189","type":"journal-article","created":{"date-parts":[[2025,3,31]],"date-time":"2025-03-31T03:25:02Z","timestamp":1743391502000},"page":"3189","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":11,"title":["Utilizing ADMET Analysis and Molecular Docking to Elucidate the Neuroprotective Mechanisms of a Cannabis-Containing Herbal Remedy (Suk-Saiyasna) in Inhibiting Acetylcholinesterase"],"prefix":"10.3390","volume":"26","author":[{"given":"Suwimon","family":"Sumontri","sequence":"first","affiliation":[{"name":"Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Srinakharinwirot University, Nakhon Nayok 26120, Thailand"},{"name":"Technical and Planning Division, Department of Thai Traditional and Alternative Medicine, Ministry of Public Health, Nonthaburi 11000, Thailand"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Wanna","family":"Eiamart","sequence":"additional","affiliation":[{"name":"Chula Pharmacokinetic Research Center, Faculty of Medicine, Chulalongkorn University, Bangkok 10330, Thailand"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sarin","family":"Tadtong","sequence":"additional","affiliation":[{"name":"Department of Pharmacognosy, Faculty of Pharmacy, Srinakharinwirot University, Nakhon Nayok 26120, Thailand"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9301-5038","authenticated-orcid":false,"given":"Weerasak","family":"Samee","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Srinakharinwirot University, Nakhon Nayok 26120, Thailand"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2025,3,29]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"471","DOI":"10.1016\/j.jpba.2018.06.026","article-title":"Acetylcholinesterase-inhibitory activity of Iranian plants: Combined HPLC\/bioassay-guided fractionation, molecular networking and docking strategies for the dereplication of active compounds","volume":"158","author":"Farimani","year":"2018","journal-title":"J. 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