硕士生导师

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沈倩诚

沈倩诚

研究方向:计算化学与计算生物学

部门/课题组:医药信息学中心

邮箱:qianchengshen@vip.163.com

个人简介

上海交通大学医学院

博士后研究员,2013~2016

助理研究员,2016~2020

副研究员,2020~至今

研究兴趣:变构调控机制,变构药物开发,重要疾病别构靶标的识别,医学生物信息学,精准医疗等

工作及教育经历:

中国科学院上海药物研究所

2008~2013,药物设计,博士

华东师范大学

2004~2008,生物科学,学士

科研项目:

“变构药物设计技术发展及前列腺癌乳腺癌候选药物(1.1类)K116研究(2018-2020)”子任务

头颈部恶性肿瘤个性化药物评价及临床转化体系建设(2017-2019)

别构位点识别:标准数据集与计算方法评价体系的建立与应用(2016-2018)

论文、专利与专著:

[1] Wang C, Wang T, Zhang k, Li M,Shen Q, Lu S* Zhang ]*. Pan-KRAS inhibitors suppress proliferation through feedback regulation in pancreatic ductal adenocarcinoma.Acta Pharmacol Sin. 2022, 43(10): 2696-2708.

[2] Liu X, Lu S, Song K,Shen Q, Ni D, Li Q, He X, Zhang H, Wang Q, Chen Y, Li X, Wu J, Sheng C, Chen G, Liu Y, Lu X, Zhang J.* Unraveling allosteric landscapes of allosterome with ASD.Nucleic Acids Res. 2020, 48(D1): D394-D401

[3]Lu S,Shen Q, Zhang J*. Allosteric methods and their applications: facilitating the discovery of allosteric drugs and the investigation of allosteric mechanisms. Acc Chem Res.2019, 52(2): 492-500.

[4] Song K, Li Q, Gao W, Lu S,Shen Q, Liu X, Wu Y, Wang B, Lin H, Chen G, Zhang J*. AlloDriver: a method for the identification and analysis of cancer driver targets. Nucleic Acids Res. 2019, 47(W1): W315-W321.

[5] An X, Lu S, Song K,Shen Q, Huang M, Yao X, Liu H*, Zhang J*. Are the Apo Proteins Suitable for the Rational Discovery of Allosteric Drugs? J Chem Inf Model. 2019, 59(1): 597 - 604.

[6] Huang K, Liang Q, Zhou Y, Jiang L, Gu W, Luo M, Tang Y, Wang Y, Lu W, Huang M, Zhang S, Zhuang G, Dai Q,Shen Q, Zhang J, Lei H, Zhu L, Ye D, Chen H, Zhou L, Shen Y*. A novel allosteric inhibitor of phosphorglycerate mutase 1 suppresses growth and metastasis of non-small-cell lung cancer. Cell Metabolism. 2019, 30(6): 1107 - 1119.

[7]Huang M, Song K, Liu X, Lu S, Shen Q, Wang R, Gao J, Hong Y, Li Q, Ni D, Xu J, Chen G, Zhang J*. AlloFinder: a strategy for allosteric modulator discovery and allosterome analyses. Nucleic Acids Res. 2018, 46: 451-458.

[8] Shen Q#, Cheng F, Song H, Lu W, Zhao J, An X, Liu M, Chen G, Zhao Z*, Zhang J*. Proteome-scale investigation of protein allosteric regulation perturbed by somatic mutations in 7,000 cancer genomes. Am J Hum Genet.2017, 100(1): 5-20.

[9] Song K, Liu X, Huang W, Lu S,Shen Q, Zhang L, Zhang J*. Improved method for the identification and validation of allosteric sites. J Chem Inf Model. 2017, 57(9): 2358 - 2363.

[10] Shen Q#, Wang G, Li S, Liu X, Lu S, Chen Z, Song K, Yan J, Geng L, Huang Z, Huang W, Cheng G, Zhang J*. ASD v3.0: unraveling allosteric regulation with structural mechanisms and biological networks. Nucleic Acids Res. 2016, 44: D527-535.

[11]Li S,Shen Q#, Su M, Liu X, Lu S, Chen Z, Wang R, Zhang J*. Alloscore: a method for predicting allosteric ligand-protein interactions. Bioinformatics. 2016, 32(10): 1574-1576.

[12] Lu S, Deng R, Jiang H, Song H, Li S,Shen Q, Huang W, Nussinov R, Yu J*, Zhang J*. The mechanism of ATP-dependent allosteric protection of Akt kinase phosphorylation. Structure. 2015, 23, 1725 - 1734.

[13] Huang W, Wang G,Shen Q, Liu X, Lu S, Geng Lv, Huang Z, Zhang J*. ASBench: benchmarking sets for allosteric discovery. Bioinformatics. 2015, 31, 2598 - 2600.

[14] Lu S, Huang W, Wang Q,Shen Q, Li S, Nussinov R*, Zhang J*. The Structural Basis of ATP as an Allosteric Modulator. PLoS Comput Biol. 2014, 10, e1003831.

[15] Huang Z, Mou L,Shen Q, Lu S, Li C, Liu X, Wang G, Li S, Geng L, Liu Y, Wu J, Chen G, Zhang J*. ASD v2.0: updated content and novel features focusing on allosteric regulation. Nucleic Acids Res. 2014, 42(1), D510 - D516.

[16] Zhao Y, Zhang X, Chen Y, Lu S, Peng Y, Wang X, Guo C, Zhou A, Zhang J, Luo Y,Shen Q, Ding J, Meng L*, Zhang J*. Crystal Structures of PI3Kα Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design. ACS Med. Chem. Lett. 2014, 5, 138 - 142.

[17] Li S, Zhang J, Lu S, Huang W, Geng L,Shen Q, Zhang J*. Mechanism of allosteric inhibition of protein tyrosine phosphatase 1B. PLoS ONE. 2014, 9, e97668.

[18] Liu H, Shen Q, Zhang J*, Fu W*. Evaluation of various inverse docking schemes in multiple targets identification. J. Mol. Graph. Model. 2010, 29, 326 – 330.