Kinetic and docking studies of cytosolic/tumor-associated carbonic anhydrase isozymes I, II and IX with some hydroxylic compounds

被引：7

作者：

Durdagi, Serdar ^{[1
]}

Korkmaz, Neslihan ^{[2
]}

Isik, Semra ^{[3
]}

Vullo, Daniela ^{[4
]}

Astley, Demet ^{[2
]}

Ekinci, Deniz ^{[5
]}

Salmas, Ramin E. ^{[1
]}

Senturk, Murat ^{[6
]}

Supuran, Claudiu T. ^{[4
]}

机构：

[1] Bahcesehir Univ, Sch Med, Dept Biophys, Istanbul, Turkey

[2] Ege Univ, Fac Sci, Dept Chem, Izmir, Turkey

[3] Balikesir Univ, Sci & Art Fac, Dept Chem, Balikesir, Turkey

[4] Univ Firenze, Lab Chim Bioinorgan, Polo Sci, Florence, Italy

[5] Ondokuz Mayis Univ, Dept Agr Biotechnol, Fac Agr, Samsun, Turkey

[6] Ibrahim Cecen Univ Agri, Art & Sci Fac, Dept Chem, Agri, Turkey

来源：

JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY | 2016年 / 31卷 / 06期

关键词：

Cancer; carbonic anhydrase; docking; hydroxyl; interaction; ISOFORMS-I; VITRO INHIBITION; GLUTATHIONE-REDUCTASE; SALICYLIC-ACID; DERIVATIVES; DESIGN; VI; SULFONAMIDES; ERYTHROCYTE; ACTIVATORS;

D O I：

10.3109/14756366.2015.1114930

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

A series of hydroxylic compounds (1-10, NK-154 and NK-168) have been assayed for the inhibition of three physiologically relevant carbonic anhydrase isozymes, the cytosolic isozymes I, II and tumor-associated isozyme IX. The investigated compounds showed inhibition constants in the range of 0.068-4003, 0.012-9.9 and 0.025-115 mm at the hCA I, hCA II and hCA IX enzymes, respectively. In order to investigate the binding mechanisms of these inhibitors, in silico studies were also applied. Molecular docking scores of the studied compounds are calculated using scoring algorithms, namely Glide/induced fit docking. The inhibitory potencies of the novel compounds were analyzed at the human isoforms hCA I, hCA II and hCA IX as targets and the K-I values were calculated.

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页码：1214 / 1220

页数：7

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