Utilizing ADMET Analysis and Molecular Docking to Elucidate the Neuroprotective Mechanisms of a Cannabis-Containing Herbal Remedy (Suk-Saiyasna) in Inhibiting Acetylcholinesterase

International Journal of Molecular Sciences, Journal Year: 2025, Volume and Issue: 26(7), P. 3189 - 3189

Published: March 29, 2025

Alzheimer’s disease is characterized by the degeneration of cholinergic neurons, which primarily driven acetylcholinesterase (AChE) enzyme and oxidative stress. This study investigated therapeutic potential cannabis-containing herbal remedy Suk-Saiyasna in alleviating amyloid β42 (Aβ42)-induced cytotoxicity SH-SY5Y cells. The DPPH radical-scavenging activity inhibitory effects on AChE were evaluated vitro. 167 ligands, including cannabinoids, flavonoids, terpenoids, alkaloids derived from Suk-Saiyasna, was assessed using ADMET analysis molecular docking techniques. results demonstrated that extract exhibited a radical scavenging effect with an IC50 value 27.40 ± 1.15 µg/mL notable 1.25 0.35 mg/mL. Importantly, at concentration 1 µg/mL, significantly protected cells Aβ42-induced stress compared to controls. Docking studies revealed delta-9-tetrahydrocannabinol (Δ9-THC), mesuaferrone B, piperine, β-sitosterol, chlorogenic acid substantial binding affinities AChE, surpassing reference drugs like galantamine rivastigmine. Furthermore, silico predictions indicated Δ9-THC piperine possessed favorable pharmacokinetic profiles, solubility, absorption, blood–brain barrier permeability, no neurotoxicity or carcinogenicity associated Δ9-THC.

Language: Английский

Ultra-High-Performance Liquid Chromatography–Tandem Mass Spectrometry Analysis of Δ9-Tetrahydrocannabinol and Cannabidiol in Commercial Suk-Saiyasna Herbal Remedy: Applying Hansen Solubility Parameters for Sample Extraction to Ensure Regulatory Compliance

Pharmaceuticals, Journal Year: 2024, Volume and Issue: 17(11), P. 1502 - 1502

Published: Nov. 8, 2024

Suk-Saiyasna is a traditional Thai herbal remedy that comprises 12 distinct herbs. Among these, cannabis leaves constitute of the total 78 components in this formulation. This study specifically examines portion plant, which accounts for approximately 15.8% overall composition used entire remedy. According to Thailand Narcotics Act 2022, Δ9-tetrahydrocannabinol (Δ9-THC) concentration extracts must not exceed 0.2% by weight. aims quantify levels Δ9-THC and cannabidiol (CBD) commercial products.

Language: Английский