3-Substituted-4-hydroxycoumarin as a new scaffold with potent CDK inhibition and promising anticancer effect: Synthesis, molecular modeling and QSAR studies

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3-Substituted-4-hydroxycoumarin as a new scaffold with potent CDK inhibition and promising anticancer effect: Synthesis, molecular modeling and QSAR studies

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作者：Nehad A. Abdel Latif^a ; ^b ; ^{nehad_km@yahoo.com" class="auth_mail" title="E-mail the corresponding author} ; Rasha Z. Batran^a ; Mohammed A. Khedr^c ; ^e ; Mohamed M. Abdalla^d
关键词：4-Hydroxycoumarin ; Pyrazolines ; 2-Aminopyridine-3-carbonitriles ; CDK ; Anticancer ; Molecular docking ; QSAR
刊名：Bioorganic Chemistry
出版年：2016
出版时间：August 2016
年：2016
卷：67
期：Complete
页码：116-129
全文大小：3343 K

文摘

•: 3-Substituted 4-hydroxycoumarin derivatives were synthesized.
•: All the synthesized target compounds selectively inhibited CDK1B.
•: 3a, 6b and 8c showed in vitro and in vivo anticancer effects against MCF-7.
•: The Docking study confirmed a unique binding mode in CDK1B active site.
•: QSAR study revealed high predictive power (R² = 0.81).

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