Article 2023 · 7 citations

2-Amino thiazole derivatives as inhibitors of some metabolic enzymes: An in vitro and in silico study

Abstract

The thiazole derivatives are desirable compounds in the evaluation of their biological activities such as antiprotozoal antibacterial, antifungal, antituberculosis. Considering the medical application potential of 2-amino thiazole compounds, we aimed to determine the effects of 2-amino thiazole derivatives on the activities of carbonic anhydrase I-II isoenzymes, acetylcholinesterase (AChE) and butyrylcholinesterase (BChE). Among the chemicals we used in our study, 2-amino-4-(4-chlorophenyl)thiazole compound exhibited the best inhibition against hCA I with K-i of 0.008 +/- 0.001 mu M. The 2-amino-4-(4-bromophenyl)thiazole compound exhibited the best inhibition against hCA II, AChE, and BChE with K-i of 0.124 +/- 0.017, 0.129 +/- 0.030, and 0.083 +/- 0.041 mu M, respectively. Molecular docking analysis showed that compound 2-amino-4-(5,6,7,8-tetrahydro-2-naphthyl)thiazole had the highest inhibitory potency against hCA I, hCA II, AChE, BChE with the estimated binding energy of -6.75, -7.61, -7.86, -7.96 kcal/mol, respectively.

Keywords

carbonic anhydrase cholinesterase inhibition molecular docking thiazole MOLECULAR DOCKING BIOLOGICAL EVALUATION ACETYLCHOLINESTERASE BUTYRYLCHOLINESTERASE ACETYL AGENTS

WoS Categories

Biochemistry & Molecular Biology Biotechnology & Applied Microbiology

Sustainable Development Goals

Good Health and Well-being

Citation

Journal: BIOTECHNOLOGY AND APPLIED BIOCHEMISTRY
Year: 2023
Volume: 70
Issue: 2
Pages: 659-669
ISSN: 0885-4513
eISSN: 1470-8744
DOI: 10.1002/bab.2388
WoS UID: WOS:000831044400001

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