Some phenolic natural compounds as carbonic anhydrase inhibitors: An in vitro and in silico study
Ahmet Gökhan Ağgül, Naim Uzun, Müslüm Kuzu, Parham Taslımı, İlhami Gülçın
Abstract
Abstract This paper presents experimental and molecular docking studies on the inhibitory effects of tyrosol, hydroxytyrosol, luteolin, diosmetin, caffeic acid, luteolin 7‐ O ‐glycoside, and apigenin 7‐ O ‐glycoside from olive ( Olea europaea L.) leaf against human carbonic anhydrase (hCA, E.C.4.2.1.1) isozymes I and II. After these isozymes were separately purified, their activities were determined using the esterase activity. IC 50 values for hCA I and II were calculated as 2.02–11.38 µM and 2.23–9.05 µM, respectively. The compounds were identified as CA inhibitors, with K i values in the ranges of 1.66–9.17 µM for the hCA I isozyme and 1.49–14.21 µM for hCA II. The inhibitory effects of these natural compounds were also compared to acetazolamide, which is a potent inhibitor of both CA isozymes. Our results may contribute to the synthesis of new CA inhibitors and pave the way for new drug design in the treatment of a number of diseases including cancer, obesity, diabetes, and glaucoma.