Unlocking the biochemical and computational parameters of Ceropegia foetida: A scientific approach for functional bioactive compounds from a medicinal food plant

Abstract

Investigating the therapeutic potentials of medicinal plants remains pivotal in the discovery of novel bioactive compounds for food and pharmaceutical applications. This research delves into the phytochemical composition and biological activities of Ceropegia foetida's methanol extract, employing comprehensive UHPLC-MS for secondary metabolites profiling. The study quantifies the extract's substantial phenolic (76.12 mg GAE/g) and flavonoid (21.58 mg QE/g) contents, revealing a promising correlation with robust antioxidant activities, as evidenced by notable ABTS, FRAP, and CUPRAC assay outcomes. Furthermore, the extract demonstrates significant inhibitory effects on key enzymes implicated in neurodegenerative disorders and diabetes, including acetylcholinesterase (3.56 mg GALAE/g), butyrylcholinesterase (2.91 mg GALAE/g), and tyrosinase (128.31 mg KAE/g). UHPLC-MS analysis confirms the presence of 39 distinct phytochemicals across six primary categories, affirming the extract's complex bioactive profile. In complement to experimental assays, computational analyses via molecular docking simulations provided insights into the interaction mechanisms of identified phytochemicals with the target enzymes. These simulations revealed a substantial binding affinity of the plant's constituents towards enzymes compared to standard inhibitors, highlighting the compounds responsible for C. foetida's bioactivity. Such computational insights, alongside empirical data, suggest that C. foetida merits further exploration as a natural source of therapeutic agents. Overall, the efficacious enzyme inhibition, coupled with the identified phytochemical diversity, underscores the potential of C. foetida as a valuable natural resource for developing nutraceuticals and therapeutic agents. These findings support the further investigation of C. foetida for its applicability in enhancing health and treating chronic conditions.