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.
authors.affiliation: Division of Biotechnology and Pharmaceutical Research, National Health Research Institutes, No. 35, Keyan Road, Zhunan Town, Miaoli County 350, Taiwan, ROC.
authors.forename: Mohane Selvaraj
authors.initials: MS
authors.lastname: Coumar
authors.forename: Jian-Sung
authors.initials: JS
authors.lastname: Wu
authors.forename: Jiun-Shyang
authors.initials: JS
authors.lastname: Leou
authors.forename: Uan-Kang
authors.initials: UK
authors.lastname: Tan
authors.forename: Chung-Yu
authors.initials: CY
authors.lastname: Chang
authors.forename: Teng-Yuan
authors.initials: TY
authors.lastname: Chang
authors.forename: Wen-Hsing
authors.initials: WH
authors.lastname: Lin
authors.forename: John T-A
authors.initials: JT
authors.lastname: Hsu
authors.forename: Yu-Sheng
authors.initials: YS
authors.lastname: Chao
authors.forename: Su-Ying
authors.initials: SY
authors.lastname: Wu
authors.forename: Hsing-Pang
authors.initials: HP
authors.lastname: Hsieh
mesh_terms: D064127:Aurora Kinases; D001665:Binding Sites; D008958:Models, Molecular; D015394:Molecular Structure; D017346:Protein Serine-Threonine Kinases / Q000037:antagonists & inhibitors* / Q000737:chemistry; D011720:Pyrazoles / Q000737:chemistry*; D011744:Pyrimidinones / Q000737:chemistry*; D011758:Pyrroles / Q000737:chemistry*; D013329:Structure-Activity Relationship
chemical_list: C528893:6,7-dihydro-4H-pyrazolo-(1,5-a)pyrrolo(3,4-d)pyrimidine-5,8-dione; D011720:Pyrazoles; D011744:Pyrimidinones; D011758:Pyrroles; D064127:Aurora Kinases; D017346:Protein Serine-Threonine Kinases