article · Molecules
Moricandia sinaica is a medicinal plant traditionally utilised for various therapeutic purposes. Chemical profiling of the essential oil and lipophilic extract derived from its aerial parts revealed high levels of aliphatic hydrocarbons in both fractions. The lipophilic extract is characterised by major constituents including octacosanol, gamma-sitosterol, alpha-amyrin, beta-amyrin acetate, and alpha-tocopherol, whilst monoterpenes and sesquiterpenes predominate in the essential oil. In laboratory evaluations, both the essential oil and the lipophilic extract demonstrated cytotoxic effects against human liver cancer cells. Additionally, the lipophilic extract exhibited measurable antioxidant properties. Molecular docking simulations showed that key constituents bound effectively to enzymes including NADPH oxidase, phosphoinositide-3 kinase, and protein kinase B. Together, these findings indicate potential utility for managing oxidative stress and supporting cytotoxic therapy development.
Natural plant products remain vital sources for identifying novel therapeutic molecules. By establishing the chemical makeup and bioactivity of Moricandia sinaica against liver cancer cell lines and oxidative mechanisms, this research highlights specific compounds that could inform future drug design for oxidative stress and oncological conditions.
This research could potentially support pharmaceutical and nutraceutical developers looking for leads targeting oxidative stress conditions or cytotoxic treatments. However, the work represents very early-stage research based entirely on chemical analysis, in vitro cell culture assays, and computational molecular docking. Substantial preclinical validation, toxicology profiling, and in vivo efficacy testing would be required before any commercial application or product formulation could be pursued.
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The genus Moricandia (Brassicaceae) comprises about eight species that were used in traditional medicine. Moricandia sinaica is used to alleviate certain disorders such as syphilis and exhibits analgesic, anti-inflammatory, antipyretic, antioxidant, and antigenotoxic properties. Throughout this study, we aimed to figure out the chemical composition of lipophilic extract and essential oil obtained from M. sinaica aerial parts using GC/MS analysis, as well as their cytotoxic and antioxidant activities correlated with the major detected compounds’ molecular docking. The results revealed that both the lipophilic extract and the oil were found to be rich in aliphatic hydrocarbons, accounting for 72.00% and 79.85%, respectively. Furthermore, the lipophilic extract’s major constituents are octacosanol, γ-sitosterol, α-amyrin, β-amyrin acetate, and α-tocopherol. Contrarily, monoterpenes and sesquiterpenes accounted for the majority of the essential oil. The essential oil and the lipophilic extract of M. sinaica showed cytotoxic properties towards human liver cancer cells (HepG2) with IC50 values of 126.65 and 220.21 µg/mL, respectively. The lipophilic extract revealed antioxidant activity in the DPPH assay with an IC50 value of 2679 ± 128.13 µg/mL and in the FRAP assay, moderate antioxidant potential was expressed as 44.30 ± 3.73 µM Trolox equivalent/mg sample. The molecular docking studies revealed that ꞵ-amyrin acetate, α -tocopherol, γ-sitosterol, and n-pentacosaneachieved the best docking scores for NADPH oxidase, phosphoinositide-3 kinase, and protein kinase B. Consequently, M. sinaica essential oil and lipophilic extract can be employed as a viable management strategy for oxidative stress conditions and the formulation of improved cytotoxic treatment regimens.
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DOI: 10.3390/molecules28052193
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