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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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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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creator	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
description	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.
doi_str_mv	10.1016/j.bmcl.2008.01.068
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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
title	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
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