Synthesis, biological evaluation, and molecular docking studies of new pyrazol-3-one derivatives with aromatase inhibition activities

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 serie...

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Bibliographic Details
Published in:Chemical biology & drug design 2016-12, Vol.88 (6), p.832-843
Main Authors: Yi, Xue-Jing, El-Idreesy, Tamer T., Eldebss, Taha M. A., Farag, Ahmad M., Abdulla, Mohamed M., Hassan, Shaimaa A., Mabkhot, Yahia N.
Format: Article
Language:English
Subjects:
aromatase activity inhibitors
Aromatase Inhibitors - chemical synthesis
Aromatase Inhibitors - chemistry
Aromatase Inhibitors - pharmacology
IC 50
IC50
Inhibitory Concentration 50
letrozole
Molecular Docking Simulation
molecular docking studies
pyrazol-3-one
Pyrazolones - chemical synthesis
Pyrazolones - chemistry
Pyrazolones - pharmacology
Spectrum Analysis - methods
Thermodynamics
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Summary: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 IC50 value of 0.0023 ± 0.0002 μm compared to letrozole with IC50 of 0.0028 ± 0.0006 μm. In addition, compounds 26 and 36 exhibit good inhibition activities close to letrozole with IC50 values 0.0033 ± 0.0001 and 0.0032 ± 0.0003 μm, respectively. Moreover, molecular docking studies were conducted to support the findings. 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.
ISSN:1747-0277
1747-0285
DOI:10.1111/cbdd.12812