Vocational School of Health Services, Artvin Coruh University, Artvin, Turkey.
Faculty Arts and Sciences, Chemistry Department, Balıkesir University, Balıkesir, Turkey.
J Biomol Struct Dyn. 2022 Sep;40(15):6965-6973. doi: 10.1080/07391102.2021.1892527. Epub 2021 Mar 1.
Carbonic anhydrases (CAs, EC4.2.1.1) are metalloenzymes that catalyse reversible hydration reaction of carbon dioxide to bicarbonate and protons. In recent years, there has been a great interest in inhibitors/activators of carbonic anhydrase isoenzymes. Therefore, we investigated the effects of four different carbazole Schiff base derivatives, which are believed to have a potential to be used as a drug, on human carbonic anhydrase (hCA) isoenzymes I and II under conditions. The IC values of carbazole Schiff base derivatives were found to be in the range of 32.09-151.2 μM for hCA isoenzyme I and 21.82-40.54 μM for hCA isoenzyme II. Among all compounds, (E)-3-(((9-Octyl-9H-carbazole-3-yl)imino)methyl)benzene-1,2-diol (C3) had the strongest inhibitory effect on hCA isoenzyme II. It was determined that 2,3,4-trimethoxy and 4-hydroxy phenyl containing carbazole compounds have selective inhibition against hCA II isoenzyme. Docking studies were performed against hCA I and II receptors using induced-fit docking method. The compounds had affinity scores varying from -7.74 ± 0.27 to -6.27 ± 0.07 kcal/mol for hCA I and from -8.04 ± 0.17 to -7.27 ± 0.18 kcal/mol for hCA II.Communicated by Ramaswamy H. Sarma.
碳酸酐酶（CA，EC4.2.1.1）是一种金属酶，可催化二氧化碳的可逆水合反应，生成碳酸氢根和质子。近年来，人们对碳酸酐酶同工酶的抑制剂/激活剂产生了浓厚的兴趣。因此，我们研究了四种不同的咔唑席夫碱衍生物对人碳酸酐酶（hCA）同工酶 I 和 II 的影响，这些衍生物被认为具有成为药物的潜力。在实验条件下，咔唑席夫碱衍生物的 IC 值范围为 32.09-151.2 μM，用于 hCA 同工酶 I，21.82-40.54 μM，用于 hCA 同工酶 II。在所有化合物中，（E）-3-(((9-辛基-9H-咔唑-3-基)亚氨基)甲基)苯-1,2-二醇（C3）对 hCA 同工酶 II 的抑制作用最强。研究表明，含有 2,3,4-三甲氧基和 4-羟基苯基的咔唑化合物对 hCA II 同工酶具有选择性抑制作用。使用诱导契合对接方法对 hCA I 和 II 受体进行了对接研究。这些化合物对 hCA I 的亲和评分从-7.74±0.27 到-6.27±0.07 kcal/mol 不等，对 hCA II 的亲和评分从-8.04±0.17 到-7.27±0.18 kcal/mol 不等。通讯作者为 Ramaswamy H. Sarma。
