Carbonic Anhydrase and Urease Inhibitory Potential of Various Plant Phenolics Using in vitro and in silico Methods

Plant phenolics are known to display many pharmacological activities. In the current study, eight phenolic compounds, e.g., luteolin 5-O-beta-glucoside (1), methyl rosmarinate (2), apigenin (3), vicenin 2 (4), lithospermic acid (5), soyasaponin II (6), rubiadin 3-O-beta-primeveroside (7), and 4-(beta-D-glucopyranosyloxy) benzyl 3,4-dihydroxybenzoate (8), isolated from various plant species were tested at 0.2 mM against carbonic anhydrase-II (CA-II) and urease using microtiter assays. Urease inhibition rate for compounds 1-8 ranged between 5.0-41.7%, while only compounds 1, 2, and 4 showed a considerable inhibition over 50% against CA-II with the IC50 values of 73.5 +/- 1.05, 39.5 +/- 1.14, and 104.5 +/- 2.50 mu M, respectively, where IC50 of the reference (acetazolamide) was 21.0 +/- 0.12 mu M. In silico experiments were also performed through two docking softwares (Autodock Vina and i-GEMDOCK) in order to find out interactions between the compounds and CA-II. Actually, compounds 6 (30.0%) and 7 (42.0%) possessed a better binding capability toward the active site of CA-II. According to our results obtained in this study, among the phenolic compounds screened, particularly 1, 2, and 4 appear to be the promising inhibitors of CA-II and may be further investigated as possible leads for diuretic, anti-glaucoma, and antiepileptic agents.