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

Mohane Selvaraj Coumar; Jian Sung Wu; Jiun Shyang Leou; Uan Kang Tan; Chung Yu Chang; Teng Yuan Chang; Wen Hsing Lin; John T.A. Hsu; Yu Sheng Chao; Su Ying Wu; Hsing Pang Hsieh

doi:10.1016/j.bmcl.2008.01.068

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

Mohane Selvaraj Coumar, Jian Sung Wu, Jiun Shyang Leou, Uan Kang Tan, Chung Yu Chang, Teng Yuan Chang, Wen Hsing Lin, John T.A. Hsu, Yu Sheng Chao, Su Ying Wu, Hsing Pang Hsieh

Center of Applied Nanomedicine

Research output: Contribution to journal › Article › peer-review

28 Citations (Scopus)

Abstract

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.

Original language	English
Pages (from-to)	1623-1627
Number of pages	5
Journal	Bioorganic and Medicinal Chemistry Letters
Volume	18
Issue number	5
DOIs	https://doi.org/10.1016/j.bmcl.2008.01.068
Publication status	Published - 2008 Mar 1

All Science Journal Classification (ASJC) codes

Biochemistry
Molecular Medicine
Molecular Biology
Pharmaceutical Science
Drug Discovery
Clinical Biochemistry
Organic Chemistry

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Coumar, M. S., Wu, J. S., Leou, J. S., Tan, U. K., Chang, C. Y., Chang, T. Y., Lin, W. H., Hsu, J. T. A., Chao, Y. S., Wu, S. Y., & Hsieh, H. P. (2008). 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. Bioorganic and Medicinal Chemistry Letters, 18(5), 1623-1627. https://doi.org/10.1016/j.bmcl.2008.01.068

Coumar, Mohane Selvaraj ; Wu, Jian Sung ; 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 ; Hsieh, Hsing Pang. / 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. In: Bioorganic and Medicinal Chemistry Letters. 2008 ; Vol. 18, No. 5. pp. 1623-1627.

@article{9aef2e754bfc4d8fa22a09d7293a22c6,

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",

abstract = "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.",

author = "Coumar, {Mohane Selvaraj} and Wu, {Jian Sung} and Leou, {Jiun Shyang} and Tan, {Uan Kang} and Chang, {Chung Yu} and Chang, {Teng Yuan} and Lin, {Wen Hsing} and Hsu, {John T.A.} and Chao, {Yu Sheng} and Wu, {Su Ying} and Hsieh, {Hsing Pang}",

note = "Funding Information: The study was financially supported by National Health Research Institutes and National Science Council (Grant Nos. NSC-95-2113-M-400-001-MY3 and NSC-95-2752-B-007), Taiwan, ROC. ",

year = "2008",

month = mar,

day = "1",

doi = "10.1016/j.bmcl.2008.01.068",

language = "English",

volume = "18",

pages = "1623--1627",

journal = "Bioorganic and Medicinal Chemistry Letters",

issn = "0960-894X",

publisher = "Elsevier Limited",

number = "5",

}

Coumar, MS, Wu, JS, Leou, JS, Tan, UK, Chang, CY, Chang, TY, Lin, WH, Hsu, JTA, Chao, YS, Wu, SY & Hsieh, HP 2008, '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', Bioorganic and Medicinal Chemistry Letters, vol. 18, no. 5, pp. 1623-1627. https://doi.org/10.1016/j.bmcl.2008.01.068

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. / Coumar, Mohane Selvaraj; Wu, Jian Sung; 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; Hsieh, Hsing Pang.

In: Bioorganic and Medicinal Chemistry Letters, Vol. 18, No. 5, 01.03.2008, p. 1623-1627.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - Aurora kinase A inhibitors

T2 - Identification, SAR exploration and molecular modeling of 6,7-dihydro-4H-pyrazolo-[1,5-a]pyrrolo[3,4-d]pyrimidine-5,8-dione scaffold

AU - Coumar, Mohane Selvaraj

AU - Wu, Jian Sung

AU - Leou, Jiun Shyang

AU - Tan, Uan Kang

AU - Chang, Chung Yu

AU - Chang, Teng Yuan

AU - Lin, Wen Hsing

AU - Hsu, John T.A.

AU - Chao, Yu Sheng

AU - Wu, Su Ying

AU - Hsieh, Hsing Pang

N1 - Funding Information: The study was financially supported by National Health Research Institutes and National Science Council (Grant Nos. NSC-95-2113-M-400-001-MY3 and NSC-95-2752-B-007), Taiwan, ROC.

PY - 2008/3/1

Y1 - 2008/3/1

N2 - 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.

AB - 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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SP - 1623

EP - 1627

JO - Bioorganic and Medicinal Chemistry Letters

JF - Bioorganic and Medicinal Chemistry Letters

SN - 0960-894X

IS - 5

ER -

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

Abstract

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