title: Synthesis, biological evaluation, and molecular docking studies of new pyrazol-3-one derivatives with aromatase inhibition activities.
abstract: A new series derived from 4-(2-chloroacetyl)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one was synthesized, characterized and its pharmacological activity toward aromatase enzyme inhibition was screened and compared to the reference native ligand letrozole. The most active compound of the series was 16, showing IC50value of 0.0023 ± 0.0002 μm compared to letrozole with IC50of 0.0028 ± 0.0006 μm. In addition, compounds 26 and 36 exhibit good inhibition activities close to letrozole with IC50values 0.0033 ± 0.0001 and 0.0032 ± 0.0003 μm, respectively. Moreover, molecular docking studies were conducted to support the findings.
authors: Yueyang Vocational Technical College, Yueyang, China.
authors: Xue-Jing
authors: XJ
authors: Yi
authors: Department of Chemistry, Faculty of Science, Cairo University, Giza, Egypt. tamertawhid@yahoo.com.|Department of Chemical Engineering, Faculty of Engineering, The British University in Egypt, El-Shorouk City, Egypt. tamertawhid@yahoo.com.
authors: Tamer T
authors: TT
authors: El-Idreesy
authors: Department of Chemistry, Faculty of Science, Cairo University, Giza, Egypt. taha_eldebss@yahoo.com.
authors: Taha M A
authors: TM
authors: Eldebss
authors: Department of Chemistry, Faculty of Science, Cairo University, Giza, Egypt.
authors: Ahmad M
authors: AM
authors: Farag
authors: Research Unit, Saco Pharm. Co., 6th October City, Egypt.
authors: Mohamed M
authors: MM
authors: Abdulla
authors: Department of Chemistry, Faculty of Science, Cairo University, Giza, Egypt.
authors: Shaimaa A
authors: SA
authors: Hassan
authors: Department of Chemistry, College of Science, King Saud University, Riyadh, Saudi Arabia.
authors: Yahia N
authors: YN
authors: Mabkhot
mesh_terms: D047072:Aromatase Inhibitors / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D020128:Inhibitory Concentration 50; D062105:Molecular Docking Simulation; D047069:Pyrazolones / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D013057:Spectrum Analysis / Q000379:methods; D013816:Thermodynamics
chemical_list: D047072:Aromatase Inhibitors; D047069:Pyrazolones; C038362:pyrazolone
keywords: 
  IC
  50
  ; aromatase activity inhibitors; letrozole; molecular docking studies; pyrazol-3-one