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. 2019 May:86:420-427.
doi: 10.1016/j.bioorg.2019.02.013. Epub 2019 Feb 5.

Synthesis, biological evaluation and molecular docking of novel pyrazole derivatives as potent carbonic anhydrase and acetylcholinesterase inhibitors

Fikret Turkan  1 , Adnan Cetin  2 , Parham Taslimi  3 , Muhammet Karaman  4 , İlhami Gulçin  5
Affiliations

Synthesis, biological evaluation and molecular docking of novel pyrazole derivatives as potent carbonic anhydrase and acetylcholinesterase inhibitors

Fikret Turkan et al. Bioorg Chem. 2019 May.

Abstract

A series of substituted pyrazole compounds (1-8 and 9a, b) were synthesized and their structure was characterized by IR, NMR, and Mass analysis. These obtained novel pyrazole derivatives (1-8 and 9a, b) were emerged as effective inhibitors of the cytosolic carbonic anhydrase I and II isoforms (hCA I and II) and acetylcholinesterase (AChE) enzymes with Ki values in the range of 1.03 ± 0.23-22.65 ± 5.36 µM for hCA I, 1.82 ± 0.30-27.94 ± 4.74 µM for hCA II, and 48.94 ± 9.63-116.05 ± 14.95 µM for AChE, respectively. Docking studies were performed for the most active compounds, 2 and 5, and binding mode between the compounds and the receptors were determined.

Keywords: Acetylcholinesterase; Carbonic anhydrase; Enzyme inhibition; Substituted pyrazole.

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