title: Pyrimidine-based inhibitors of CaMKIIdelta.
abstract: Non-ATP competitive pyrimidine-based inhibitors of CaMKIIdelta were identified. Computational studies were enlisted to predict the probable mode of binding. The results of the computational studies led to the design of ATP competitive inhibitors with optimized hinge interactions. Inhibitors of this class possessed improved enzyme and cellular activity compared to early leads.
authors.affiliation: Scios, Inc., 6500 Paseo Padre Parkway, Fremont, CA 94555, USA.
authors.forename: Babu
authors.initials: B
authors.lastname: Mavunkel
authors.forename: Yong-Jin
authors.initials: YJ
authors.lastname: Xu
authors.forename: Bindu
authors.initials: B
authors.lastname: Goyal
authors.forename: Don
authors.initials: D
authors.lastname: Lim
authors.forename: Qing
authors.initials: Q
authors.lastname: Lu
authors.forename: Zheng
authors.initials: Z
authors.lastname: Chen
authors.forename: Dan-Xiong
authors.initials: DX
authors.lastname: Wang
authors.forename: Jeffrey
authors.initials: J
authors.lastname: Higaki
authors.forename: Indrani
authors.initials: I
authors.lastname: Chakraborty
authors.forename: Albert
authors.initials: A
authors.lastname: Liclican
authors.forename: Steve
authors.initials: S
authors.lastname: Sideris
authors.forename: Maureen
authors.initials: M
authors.lastname: Laney
authors.forename: Ulrike
authors.initials: U
authors.lastname: Delling
authors.forename: Rosanne
authors.initials: R
authors.lastname: Catalano
authors.forename: Linda S
authors.initials: LS
authors.lastname: Higgins
authors.forename: Hui
authors.initials: H
authors.lastname: Wang
authors.forename: Jing
authors.initials: J
authors.lastname: Wang
authors.forename: Ying
authors.initials: Y
authors.lastname: Feng
authors.forename: Sundeep
authors.initials: S
authors.lastname: Dugar
authors.forename: Daniel E
authors.initials: DE
authors.lastname: Levy
mesh_terms: D000255:Adenosine Triphosphate / Q000378:metabolism; D001667:Binding, Competitive; D054732:Calcium-Calmodulin-Dependent Protein Kinase Type 2 / Q000037:antagonists & inhibitors*; D015195:Drug Design; D004791:Enzyme Inhibitors / Q000138:chemical synthesis / Q000494:pharmacology*; D008956:Models, Chemical; D011743:Pyrimidines / Q000737:chemistry / Q000494:pharmacology*; D013329:Structure-Activity Relationship; D013379:Substrate Specificity
chemical_list: D004791:Enzyme Inhibitors; D011743:Pyrimidines; D000255:Adenosine Triphosphate; C517660:CAMK2D protein, human; D054732:Calcium-Calmodulin-Dependent Protein Kinase Type 2; C030986:pyrimidine