陆绍永 计算药物化学研究组
电话：021-63846590-776905
邮箱：lushaoyong@sjtu.edu.cn
研究方向：
蛋白质动态结构与功能预测及分子发现
个人简历：
陆绍永，研究员，药物学与人工智能交叉学系课题组长，博士生导师，国家重点研发计划首席青年科学家，美国NIH/NCI访问学者。2012年毕业于浙江大学化学系，获理学博士学位；2012-2014在上海交通大学基础医学院从事博士后研究，并留校任教。主要从事药物设计、药物化学和化学生物学等研究。以第一作者或通讯作者在Chem Rev、Chem Soc Rev、Acc Chem Res、Nat Commun、ACS Catal、Chem Sci、Nucleic Acids Res、STTT、J Med Chem等国际期刊发表SCI论文70余篇，参编国内外专著6本。主持国家重点研发计划、国家自然科学基金面上项目等8项。获上海市东方英才计划拔尖项目人才（2024）、上海市人才发展基金资助（2021）、黄浦青年英才（2023）、全国大学生“挑战杯”特等奖（优秀指导教师）（2023）、上海交通大学医学院“上药杏林”育才奖（2023）等。担任中国药学会药物化学专委会青年委员和Front Biosci-Landmark等期刊编委。
主持科研项目：
1. 国家重点研发计划，“前沿生物技术”重点专项，蛋白动态变构位点预测及干预技术的发展与应用，执行年限：2023.12-2025.11，200万 (No. 2023YFC340700)。
2. 上海市人才发展基金资助项目，执行年限：2022.01-2025.12，30万。
3. 国家自然科学基金 面上项目 “开发变构调节方法学针对几类重要疾病靶标的理论研究和应用” 执行年限：2021.01-2024.12，63万 (No: 22077082)。
4. 国家自然科学基金 面上项目 “PI3K/钙调蛋白协调调控K-Ras4B在胰腺导管腺癌中的分子机制及靶点识别” 执行年限：2018.01-2021.12，65万 (No: 21778037)。
5. 国家自然科学基金 青年基金项目 “新型SENP1抑制剂的设计、合成及抗前列腺癌活性的研究” 执行年限：2014.01-2016.12，23万 (No: 81302698)。
发表代表性论文（#共同第一作者，*共同通讯作者）
1.Qiao X#, Zhu C#, Lan X, Li M, Li N, Huang J, Liu N, Zhang J*, Lu S*. Identification of an unexplored dynamic allosteric site on the activation pathway of vasopressin V2 receptor. J. Med. Chem. 2025, 68, 16766-16780.
2.Zhang M, Chen T, Lu X, Lan X, Chen Z*, Lu S*. G protein-coupled receptors (GPCRs): advances in structures, mechanisms, and drug discovery. Signal Transduct Target Ther. 2024, 9: 88.
3.Li M, Lan X, Shi X, Zhu C, Lu X, Pu J, Lu S*, Zhang J*. Delineating the stepwise millisecond allosteric activation mechanism of the class C GPCR dimer mGlu5. Nat Commun. 2024, 15: 7519.
4.Zha J, Li Q, Liu X, Lin W, Wang T, Wei J, Zhang Z, Lu X, Wu J, Ni D, Song K, Zhang L, Lu X*, Lu S*, Zhang J*. AlloReverse: multiscale understanding among hierarchical allosteric regulations. Nucleic Acids Res. 2023, 51: W33-W38.
5.Zhang Q#, Chen Y#, Ni D#, Huang Z#, Wei J, Feng L, Su J-C, Wei Y, Ning S, Yang X, Zhao M, Qiu Y, Song K, Yu Z, Xu J, Li X, Lu S*, Zhang J*. Targeting a cryptic allosteric site of SIRT6 with small-molecule inhibitors that inhibit the migration of pancreatic cancer cells. Acta Pharma. Sin. B 2022, 12, 876-889. (Cover story)
6.Ni D#, Chai Z#, Wang Y, Li M, Yu Z, Liu Y, Lu S*, Zhang J*. Along the allostery stream: Recent advances in computational methods for allosteric drug discovery. WIREs Comput. Mol. Sci. 2022, 12, e1585.
7.Lu S*, He X, Yang Z, Chai Z, Zhou S, Wang J, Rehman AU, Ni D, Pu J, Sun J*, Zhang J*. Activation pathway of a G protein-coupled receptor uncovers conformational intermediates as novel targets for allosteric drug design. Nat Commun. 2021, 12: 4721.
8.Lu S*, Chen Y, Wei J, Zhao M, Ni D, He X, Zhang J*. Mechanism of allosteric activation of SIRT6 revealed by the action of rationally designed activators. Acta Pharm Sin B, 2021, 11: 1355-1361.
9.Ni D, Wei J, He X, Rehman AU, Li X, Qiu Y, Pu J, Lu S*, Zhang J*. Discovery of cryptic allosteric sites using reversed allosteric communication by a combined computational and experimental strategy. Chem. Sci. 2021, 12: 464-476.
10.Fan J#, Liu Y#, Kong R, Ni D, Yu Z, Lu S*, Zhang J*. Harnessing reversed allosteric communication: A novel strategy for allosteric drug discovery. J. Med. Chem. 2021, 64, 17728-17743.
11.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, Lu X, Zhang J. Unraveling allosteric landscapes of allosterome with ASD. Nucleic Acids Res. 2020, 48, D394-D401.
12.Ni D#, Li Y#, Qiu Y, Pu J, Lu S*, Zhang J*. Combining allosteric and orthosteric drugs to overcome drug resistance. Trends Phamacol. Sci. 2020, 41, 336-348.
13.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: 492-500.
14.Lu S*, Ni D, Wang C, He X, Lin H, Wang Z*, Zhang J*. Deactivation pathway of Ras GTPase underlies conformational substates as targets for drug design. ACS Catal. 2019, 9: 7188-7196.
15.Ni D, Li X, He X, Zhang H, Zhang J*, Lu S*. Drugging K-RasG12C through covalent inhibitors: Mission possible? Pharmacol. Ther. 2019, 202, 1-17.
16.Lu S#, He X#, Ni D#, Zhang J. Allosteric modulator discovery: From serendipity to structure-based design. J. Med. Chem. 2019, 62, 6405-6421. (4 times recommended by F1000Prime)
17.Lu S, Zhang J. Small molecule allosteric modulators of G-protein-coupled receptors: Drug-target interactions. J. Med. Chem. 2019, 62, 24-45.
18.Lu S, Jang H, Gu S, Zhang J*, Nussinov R*. Drugging Ras GTPase: a comprehensive mechanistic and signaling structural view. Chem Soc Rev. 2016, 45: 4929-4952. (Inside Front Cover)
19.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. (Front Cover)
