Article 2022 · 17 citations

Screening of in vitro and in silico effect of Fluorophenylthiourea compounds on glucose 6-phosphate dehydrogenase and 6-phosphogluconate dehydrogenase enzymes

Yildiz, Muhammed Lutfu, Demir, Yeliz, Kufrevioglu, Omer Irfan

Abstract

Inhibition studies of enzymes in the pentose phosphate pathway (PPP) have recently emerged as a promising technique for pharmacological intervention in several illnesses. Glucose 6-phosphate dehydrogenase (G6PD) and 6-phosphogluconate dehydrogenase (6PGD) are the most important enzymes of the PPP. For this purpose, in the current study, we examined the effect of some fluorophenylthiourea on G6PD and 6PGD enzyme activity. These compounds exhibited moderate inhibitory activity against G6PD and 6PGD with K-I values ranging from 21.60 +/- 8.42 to 39.70 +/- 11.26 mu M, and 15.82 +/- 1.54 to 29.97 +/- 5.72 mu M, respectively. 2,6-difluorophenylthiourea displayed the most potent inhibitory effect for G6PD, and 2-fluorophenylthiourea demonstrated the most substantial inhibitory effect for 6PGD. Furthermore, the molecular docking analyses of the fluorophenylthioureas, competitive inhibitors, were performed to understand the binding interactions at the enzymes' binding site.

Keywords

6-phosphogluconate dehydrogenase fluorophenylthiourea glucose 6-phosphate dehydrogenase molecular docking CALCIUM-CHANNEL BLOCKERS PENTOSE-PHOSPHATE PATHWAY BIOLOGICAL EVALUATION CARBONIC-ANHYDRASE THIOUREA DERIVATIVES POTENTIAL ACETYLCHOLINESTERASE ANTICANCER AGENTS INHIBITION DESIGN DRUGS

WoS Categories

Biochemistry & Molecular Biology Biophysics

Sustainable Development Goals

Good Health and Well-being

Citation

Journal: JOURNAL OF MOLECULAR RECOGNITION
Year: 2022
Volume: 35
Issue: 12
ISSN: 0952-3499
eISSN: 1099-1352
DOI: 10.1002/jmr.2987
WoS UID: WOS:000851527100001

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