Synthesis, biological evaluation, and molecular docking studies of new pyrazol‐3‐one derivatives with aromatase inhibition activities. (27th August 2016)

• Record Type: Journal Article
• Authors: Yi, Xue‐Jing; El‐Idreesy, Tamer T.; Eldebss, Taha M. A.; Farag, Ahmad M.; Abdulla, Mohamed M.; Hassan, Shaimaa A.; Mabkhot, Yahia N.
• Is Part Of: Chemical biology & drug design. Volume 88:Number 6(2016)
• Page Start: 832
• Page End: 843
• Publication Date: 2016-08-27
• Subjects: aromatase activity inhibitors -- IC 50 -- letrozole -- molecular docking studies -- pyrazol‐3‐one; Drugs -- Design -- Periodicals; Pharmaceutical chemistry -- Periodicals; Biochemistry -- Periodicals; 615.19005
• DOI: 10.1111/cbdd.12812
• Languages: English
• ISSNs: 1747-0277

Abstract

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 was16, showing IC50 value of 0.0023 ± 0.0002 μ m compared to letrozole with IC50 of 0.0028 ± 0.0006 μ m . In addition, compounds26 and36 exhibit good inhibition activities close to letrozole with IC50 values 0.0033 ± 0.0001 and 0.0032 ± 0.0003 μ m, respectively. Moreover, molecular docking studies were conducted to support the findings. Abstract : A new series of pyrazol‐3‐one derivatives was synthesized, characterized and its pharmacological activity towards aromatase enzyme inhibition was screened and compared to the reference native ligand Letrozole. The findings were also supported by molecular docking studies.