Phenolic profile and pharmacological propensities of Gynandriris sisyrinchium through in vitro and in silico perspectives

Gynandriris sisyrinchium is a traditionally used medicinal plant, yet there is a dearth of scientific information on its biological potential and polyphenolic profile. In this endeavour, we aimed to assess and compare the biological properties of different extracts (ethyl acetate, methanol, and water) of G. sisyrinchium based on enzyme inhibitory effects coupled with docking studies and antioxidant ability together with screening of bioactive compounds. Polyphenolic composition was assessed by determining total phenolic (TPC) and flavonoid (TFC) content as well as individual phenolic compounds by RP-HPLC-DAD. The antioxidant properties were determined by different assays including free radical scavenging (ABTS and DPPH), reducing power (CUPRAC and FRAP), phosphomolybdenum, and metal chelating. The enzyme inhibitory activities of the extracts were evaluated for the first time against cholinesterases, tyrosinase, α-amylase, and α-glucosidase. Docking studies were performed to elucidate the interactions of phenolic compounds with the enzymes. Results show that the methanol extract exerted better scavenging, reducing, tyrosinase, and α-glucosidase inhibitory activities while the less polar ethyl acetate extract showed better phosphomolybdenum and metal chelating activity, AChE, BChE, and α-amylase inhibition. The most abundant compounds were apigenin (4224 and 1876 μg/g extract in the methanolic and ethyl acetate extract, respectively), benzoic acid (1870 μg/g extract in the methanolic extract), p-coumaric acid (472 μg/g extract in the methanolic extract), and quercetin (348 μg/g extract in the methanolic extract). The present findings suggest that G. sisyrinchium can be considered as a potential source of bioactive compounds for novel phytopharmaceuticals development in the treatment and/or management of noncommunicable diseases.