Safety, Sedative, and Anxiolytic Evaluation of MECS Hard Capsules Using In Silico and In Vivo Approaches
Abstract
Insomnia and anxiety disorders have become increasingly prevalent in modern society. The formulation study of MECS hard capsules composed of the medicinal herbs Mimosa pudica, Erythrina variegata, Cinnamomum iners, and Scoparia dulcis in an optimized weight ratio (%) of 40:12:16:32 represents a traditional Vietnamese pharmaceutical preparation. These medicinal plants have long been utilized in traditional medicine for the supportive treatment of insomnia and anxiety. This study aimed to evaluate the safety, sedative, and anxiolytic effects of MECS capsules in Swiss albino mice, while also investigating the interaction affinity of bioactive compounds from the four herbal components through in silico approaches, including molecular docking, ADMET prediction, QSAR modeling, and molecular dynamics (MD) simulations. A total of 11 potential bioactive compounds were identified through a multicriteria decision-making system. Among these, 9 compounds were confirmed in the MECS capsule using UPLC-QToF-MS chromatographic profiling, supporting the in silico screening results. Subchronic toxicity and anxiolytic effects were assessed using the light-dark box (LDB) and elevated plus maze (EPM) behavioral models, with MECS capsules administered at doses of 346 and 692 mg/kg. A sleep recovery model using diazepam was applied to evaluate the sedative properties. Toxicological assessment indicated no adverse effects at the maximum tested dose (D max) of 39 g/kg of body weight. Furthermore, no…
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