Aurora kinase A inhibitors : Identification, SAR exploration and molecular modeling of 6,7-dihydro-4H-pyrazolo-[1,5-a]pyrrolo[3,4-d]pyrimidine-5,8-dione scaffold

Tricyclic 6,7-dihydro-4H-pyrazolo[1,5-a]pyrrolo[3,4-d]pyrimidine-5,8-dione was identified as a novel scaffold for Aurora kinase A inhibition through virtual screening. SAR exploration coupled with molecular modeling of 8a reveals the minimum pharmacophore requirements for Aurora kinase A inhibition.

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Bibliographic Details
Published in:Bioorganic & medicinal chemistry 2008-03, Vol.18 (5), p.1623-1627
Main Authors: MOHANE SELVARAJ COUMAR, WU, Jian-Sung, HSIEH, Hsing-Pang, LEOU, Jiun-Shyang, TAN, Uan-Kang, CHANG, Chung-Yu, CHANG, Teng-Yuan, LIN, Wen-Hsing, HSU, John T.-A, CHAO, Yu-Sheng, WU, Su-Ying
Format: Article
Language:English
Subjects:
Antineoplastic agents
Aurora Kinases
Binding Sites
Biological and medical sciences
General aspects
Medical sciences
Models, Molecular
Molecular Structure
Pharmacology. Drug treatments
Protein-Serine-Threonine Kinases - antagonists & inhibitors
Protein-Serine-Threonine Kinases - chemistry
Pyrazoles - chemistry
Pyrimidinones - chemistry
Pyrroles - chemistry
Structure-Activity Relationship
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Summary:Tricyclic 6,7-dihydro-4H-pyrazolo[1,5-a]pyrrolo[3,4-d]pyrimidine-5,8-dione was identified as a novel scaffold for Aurora kinase A inhibition through virtual screening. SAR exploration coupled with molecular modeling of 8a reveals the minimum pharmacophore requirements for Aurora kinase A inhibition.
ISSN:0960-894X
0968-0896
1464-3405
1464-3391
DOI:10.1016/j.bmcl.2008.01.068