Novel Pyrazole-Linked Pyran Hybrids: Synthesis, Anti-inflammatory Evaluation, Molecular Docking Studies | ||
| Egyptian Journal of Chemistry | ||
| Volume 68, Issue 4, April 2025, Pages 167-176 PDF (869.75 K) | ||
| Document Type: Original Article | ||
| DOI: 10.21608/ejchem.2024.305934.10053 | ||
| Authors | ||
| Mohamed Abdelreheim1; Hend S. Abdel Rady2; Omina A. Mohamed3; ibrahim saad abdelhafiz2; hala M. Reffat2; Aboubakr H. Abdelmonsef* 4 | ||
| 1Chemistry Department, Faculty of Science, Arish University | ||
| 2Department of Chemistry, Faculty of Science, Arish University, Arish 45511, Egypt | ||
| 3Department of Biochemistry and Molecular Biology, Theodor Bilharz Research Institute, Giza, Egypt | ||
| 4Chemistry Department, Faculty of Science, South Valley University, 83523 Qena, Egypt | ||
| Abstract | ||
| In this study, a series of novel pyrazole-linked pyran hybrids was synthesized starting from 4-acetyl-1,3-diphenyl-1H-pyrazole-5(4H)-ole 1. Their structures were characterized by means of spectroscopic techniques. Further, their anti-inflammatory activities were in vitro examined using inhibition of protein denaturation, membrane stabilization assay, and quantitative real-time PCR (qRT-PCR). Compound 6 showed observed anti-inflammatory activity compared with diclofenac. Moreover, the molecular docking approach for the newly prepared hybrid molecules was also performed against phosphodiesterase 4 enzyme (PDE4) to investigate their binding modes of action. Remarkably, compound 6 exhibited the lowest binding energy (-10.8 kcal/mol) against the target. Additionally, the predicted ADMET properties of these molecules exhibited favorable drug-likeness properties. | ||
| Keywords | ||
| pyrazole-linked pyran; spectroscopic techniques; anti-inflammatory evaluation; PDE4 enzyme; molecular docking | ||
|
Statistics Article View: 824 PDF Download: 201 |
||
