个人简历

研究领域

"""""1. 别构效应\r
别构效应，是指某种不直接涉及蛋白质活性的物质，通过与蛋白质活性位点以外的其他位点（别构位点）相结合，从而引起蛋白质分子的构象变化并导致蛋白质活性改变的现象。别构效应作为蛋白质不同口袋之间进行通信的一种基本过程，是一种有效且普遍存在的功能活性调控机制。本课题组以别构效应为研究对象，一方面在计算领域不断开发各种别构口袋探测算法，旨在阐明生物大分子的别构调节和别构通信机制；另一方面，在生物实验领域，我们将利用化学生物学方法来探索别构口袋，并进一步寻找别构调节剂。\r
2. 药物发现\r
药物发现是指发现新的候选药物从而开发新的疾病治疗方案的过程。通过合理的药物设计(虚拟筛选，药效团，定量构效关系和分子动力学模拟等)，化学修饰和结晶

近期论文

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, doi:10.1021/acs.accounts.8b00570. [HTML][PDF]\r
\r
Huang Z, Zhao J, Deng W, Chen Y, Shang J, Song K, Zhang L, Wang C, Lu S, Yang X, He B, Min J, Hu H, Tan M, Xu J, Zhang Q, Zhong J, Sun X, Mao Z, Lin H, Xiao M, Chin YE, Jiang H, Xu Y*, Chen G*, Zhang J*. Identification of a cellularly active SIRT6 allosteric activator. Nat Chem Biol. 2018, doi: 10.1038/s41589-018-0150-0. [HTML][PDF] \r
\r
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(W1): W451-W458. [HTML][PDF]\r
\r
Yang X, Zhong J, Zhang Q, Qian J, Song K, Ruan C, Xu J, Ding K, Zhang J*. Rational Design and Structure Validation of a Novel peptide Inhibitor of the Adenomatous Polyposis Coli (APC)-Rho Guanine Nucleotide Exchange Factor 4 (Asef) Interaction. J Med Chem. 2018, 61(17): 8017-8028. [HTML][PDF]\r
\r
Lu S, Zhang J*. Small Molecule Allosteric Modulators of G-Protein-Coupled Receptors: Drug-Target Interactions. J Med Chem. 2018, doi: 10.1021/acs.jmedchem.7b01844. [HTML][PDF]\r
\r
Jiang H, Deng R, Yang X, Shang J, Lu S, Zhao Y, Song K, Liu X, Zhang Q, Chen Y, Chinn YE, Wu G, Li J, Chen G, Yu J*, Zhang J*. Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration. Nat Chem Biol. 2017, 13: 994 - 1001. [HTML][PDF] \r
\r
Lu S, Jang H, Muratcioglu S, Gursoy A, Keskin O, Nussinov R*, Zhang J*. Ras conformational ensembles, allostery and signaling. Chem Rev. 2016, 116, 6607 - 6665. [HTML][PDF] \r
\r
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, 5-20. [HTML][PDF]\r
\r
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 - D535. [HTML][PDF]\r
\r
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, 1574 - 1576. [HTML][PDF]\r
\r
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. [HTML][PDF]\r
\r
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. [HTML][PDF]\r
\r
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. [HTML][PDF] \r
\r
Lu S, Li S, Zhang J*. Harnessing allostery: a novel approach to drug discovery. Med Res Rev. 2014, 34, 1242 - 1285. [HTML][PDF]\r
\r
Lu S, Huang W, Zhang J*. Recent computational advances in the identification of allosteric sites in proteins. Drug Discov Today. 2014, 19, 1595 - 1600. [HTML][PDF] \r
\r
Huang W, Lu S, Huang Z, Liu X, Mou L, Luo Y, Zhao Y, Liu Y, Chen Z, Hou T, Zhang J*. Allosite: a method for predicting allosteric sites. Bioinformatics. 2013, 29, 2357 - 2359. [HTML][PDF]\r
\r
Zhang Z, Chen L, Gao L, Lin K, Zhu L, Lu Y, Shi X, Gao Y, Zhou J, Xu P, Zhang J*, Wu G*. Structural basis for the recognition of Asef by Adenomatous Polyposis Coli. Cell Res. 2012, 22, 372 - 386. [HTML][PDF] \r
\r
Huang Z, Zhu L, Cao Y, Wu G, Liu X, Chen Y, Wang Q, Shi T, Zhao Y, Wang Y, Li W, Li Y, Chen H*, Chen G, Zhang J*. ASD: a comprehensive database of allosteric proteins and modulators. Nucleic Acids Res. 2011, 39, D663 - 669. [HTML][PDF]\r
\r
Liu X, Su X, Wang F, Huang Z, Wang Q, Li Z, Zhang R, Wu L, Pan Y, Chen Y, Zhuang H, Chen G, Shi T, Zhang J*. ODORactor: a web server for deciphering olfactory coding. Bioinformatics. 2011, 27, 2302 - 2303. [HTML][PDF]