Biological evaluation and in silico study of benzohydrazide derivatives as paraoxonase 1 inhibitors
| Autor: | Işıl Nihan Korkmaz, Cüneyt Türkeş, Yeliz Demir, Aykut Öztekin, Hasan Özdemir, Şükrü Beydemir |
|---|---|
| Přispěvatelé: | Belirlenecek |
| Jazyk: | angličtina |
| Rok vydání: | 2022 |
| Předmět: |
Aryldialkylphosphatase
Health Toxicology and Mutagenesis in silico study Carbonic-Anhydrase Esters General Medicine molecular docking Pyrazole Derivatives Accurate Docking Toxicology benzohydrazide Biochemistry Organophosphates paraoxonase Vitro Molecular Docking Simulation Glide Acetylcholinesterase Molecular Medicine ADME-Tox Enzyme Inhibitors Prediction Molecular Biology Calcium-Channel Blockers |
| Popis: | Serum paraoxonase 1 (PON1) is found in all mammalian species and is a calcium-dependent hydrolytic enzyme. PON1 hydrolyze several substrates, including carbonates, esters, and organophosphates. In the current study, we aimed to investigate the effect of the presynthesized benzohydrazide derivatives (1-9) on PON1 activity. Benzohydrazide compounds moderate inhibited PON1 with the half-maximal inhibitory concentration values ranging from 76.04 +/- 13.51 to 221.70 +/- 13.59 mu M and K-I values ranging from 38.75 +/- 12.21 to 543.50 +/- 69.76 mu M. Compound 4 (2-amino-4-chlorobenzohydrazide) showed the best inhibition (K-I = 38.75 +/- 12.21 mu M). Molecular docking and ADME-Tox studies of benzohydrazide derivatives were also carried out. In this context, we hope that the results obtained in this study contribute to the determination of the side effects of current and new benzohydrazide-based pharmacological compounds to be developed. Research Fund of Anadolu University [2102S003] This work was supported by the Research Fund of Anadolu University (grant number 2102S003). |
| Databáze: | OpenAIRE |
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