Hyophila involuta (Hook.) A. Jaeger, a source of bioactive terpenoids: phytochemical profiling, in vitro evaluation and molecular docking targeting COX-2 and 5-LOX

卷叶天竺葵(Hyophila involuta (Hook.) A. Jaeger)是一种生物活性萜类化合物的来源:植物化学成分分析、体外评价以及靶向COX-2和5-LOX的分子对接。

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Abstract

Inflammation is an essential part in the natural healing process of body. Prolonged inflammation can slowdown the healing process and increase discomfort, making it necessary to reduce inflammation. Although the use of plants in treating inflammation is gaining significant attention, bryophytes remain largely overlooked due to their small size, low biomass, and the challenges associated with identifying and collecting large quantities of the desired species. However, recent interest in underexplored bryophytes and its ability to thrive in harsh environments highlights the need to re-evaluate such species for their bioactive compounds and biomedical relevance. The aim of the present study was to evaluate the phytochemical composition, quantify the terpenoid content, and assess the in vitro anti-inflammatory activity of the ethyl acetate extract of H. involuta. Subsequently, molecular docking studies were conducted with terpenoids, targeting the inflammation-related proteins COX-2 and 5-LOX. The study found that the ethyl acetate extract of H. involuta produced a yield of 3.5%, with 50 µg/mg of total terpenoid content. The GC-MS and LC-MS detected 12 and 53 phytocompounds respectively, including terpenoids with anti-inflammatory properties. In vitro anti-inflammatory assay of the extract demonstrated a dose-dependent inhibition of protein denaturation, achieving 57.27% inhibition at 100 μg/mL concentration followed by 37.16% and 35.23% inhibition against COX and LOX enzymes, respectively. In the molecular docking study, Jatrophone was identified as the most promising compound, exhibiting the highest binding affinity to both COX and LOX with a binding score of  -10.45 and  -10.47 kcal/mole respectively. In conclusion, similar to higher plants, the moss H. involuta also contains bioactive terpenoids like Jatrophone, Humulene 8 hydroperoxide, Ganosporelactone A, Furanojaponin, Neophytadiene with potential anti-inflammatory properties. This study has a significant impact on the field of natural product research by highlighting H. involuta, a commonly overlooked cement moss, as a novel source of bioactive compounds. Overall, this work opens new avenues for drug discovery, encourages the sustainable use of urban flora, and reinforces the importance of exploring underutilized plant species for pharmaceutical development.

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