吡嗪类抑制剂对于GSK-3β/CDK5的生物活性及选择性研究任务书

 2021-10-06 12:32:34

1. 毕业设计(论文)的内容和要求

课题的基本要求:

(1) 通过查阅文献,了解该课题的国内外研究现状;

(2) 学习和掌握有关计算软件的使用;

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2. 参考文献

[1] Dhavan R, Tsai L H. A Decade of CDK5 [J]. Nat Rev Mol Cell Biol, 2001, 2: 749~759.

[2] Ballatore C, Lee V M Y, Trojanowski J Q. Tau-mediated Neuro- degeneration in Alzheimers Disease and Related Disorder [J]. Nat Rev Neurosci, 2007, 8: 663~672.

[3] Cruz J C, Tseng H C, Goldman J A, et al. Aberrant CDK5 Activation by p25 Triggers Pathological Events Leading to Neurodegeneration and Neurofibrillary Tangles [J]. Neuron, 2003, 40(3): 471~483.

[4] Ubeda M, Kemp D M, Habener J F. Glucose-induced Expression of The cyclin -dependent Protein Kinase 5 Activator p35 Involved in Alzheimers Disease Regulates Insulingene Transcription in Pancreatic β-cells [J]. Endocrinology, 2004, 145: 3023.

[5] Utreras E, Futatsugi A, Pareek T K, et al. Molecular Roles of CDK5 in Pain Signaling [J]. Drug Discov Today Ther Strateg, 2009, 6(3): 105~111.

[6] 吴丽明, 王少元. 细胞周期素依赖激酶与肿瘤 [J]. 医学综述, 2008, 14(5): 666~668.

[7] 景天闯, 唐锋, 李文赟, 等. CDK5抑制剂研究进展 [J]. 国外医药抗生素分册, 2011, 32(3): 101~128.

[8] Elodie L, Ronan B, Jana Sopkova-de Oliveira S, et al. 3D-QSAR and Docking Studies of Selective GSK-3β Inhibitors. Comparison with a Thieno[2,3-b]pyrrolizinone Derivative, a New Potential Lead for GSK-3β Ligands [J]. J Chem Inf Model. 2005, 45(3), 708~715.

[9] Frame S, Cohen P, GSK3 takes centre stage more than 20 years after its discovery [J]. Biochem J, 2001, 359: 1~16.

[10] Dessalew N,Bharatam PV. 3D-QSAR and molecular docking study on bisarylmaleimide series as glycogen synthase kinase 3, cyclin dependent kinase 2 and cyclin dependent kinase 4 inhibitors: An insight into the criteria for selectivity [J]. Eur J Med Chem.2007, 42(7): 1014-1027.

[11] Pande V, Ramos MJ. Structural basis for the GSK-3β binding affinity and selectivity against CDK-2 of 1-(4-aminofurazan-3yl)-5-dialkylaminomethyl-1-H-[1,2,3] triazole-4-carboxylic acid derivatives [J]. Bioorganic Medicinal Chemistry Letters, 2005, 15(23): 5129~5135.

[12] Chen Q,Cui W,Cheng Y, et al. Studying the mechanism that enables paullones to selectively inhibit glycogen synthase kinase 3 rather than cyclin-dependent kinase 5 by molecular dynamics simulations and free-energy calculations [J]. J Mol Model, 2011, 17(4): 795~803.

[13] Vulpetti A, Crivori P, Cameron A, et al. Structure-Based Approaches to Improve Selectivity: CDK2GSK3β Binding Site Analysis [J]. J Chem Inf Model, 2005, 45(5): 1282~1290.

[14] Yvette M, Marie Gl, Virginie T, et al. Aloisines, a New Family of CDK/GSK-3 Inhibitors. SAR Study, Crystal Structure in Complex with CDK2, Enzyme Selectivity, and Cellular Effects [J]. J Med Chem, 2003, 46: 222~236.

[15]Sunil Kumar T, Sanjeev Kumar S, Poonam S, et al. Exploring the selectivity of a ligand complex with CDK2/CDK1: a molecular dynamics simulation approach [J]. J Mol Recognit, 2012, 25: 504~512.

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