蒋绪恺 博士 副研究员

山东大学国家糖工程技术研究中心

邮箱：xukai.jiang@sdu.edu.cn

电话：0532-58631417

山东省青岛市即墨区滨海路72号山东大学青岛校区K6楼229室

教育经历：

2013.9-2018.6：山东大学，微生物技术国家重点实验室，理学博士

2009.9-2013.6：山东大学威海校区，海洋学院，理学学士

工作经历：

2021.4-至今：山东大学，国家糖工程技术研究中心副研究员

2018.9-2020.10：澳大利亚莫纳什大学，生物医药研发中心，博士后

研究方向：

整合计算生物学与人工智能技术，重点开展以下研究：

1）细胞膜系统的数字孪生与药物智能化设计

2）基于生物计算大数据的人工智能模型开发

3）酶催化与酶工程

科研项目：

1) 国家自然科学基金青年项目，2024.1-2026.12，主持

2) 科技部重点研发计划子课题，2023.12-2028.11，主持

3) 科技部重点研发计划子课题，2021.12-2025.11，主持

4) 山东省优秀青年基金（海外），2023.1-2025.12，主持

5) 山东省自然科学基金青年项目，2023.1-2025.12，主持

6) 山东省食药检验研究院开放课题，2023.3-2024.6，主持

7) e-Asia国际合作项目，2023.1-2025.12，联合主持

8）Monash Bridging Postdoctoral Fellowship，2019.6-2020.7，主持

代表性论文（#第一作者、*通讯作者）：

1) Ma Z, Nang SC, Liu Z, Zhu J, Mu K, Xu L, Xiao M, Wang L, Li J*, Jiang X*. Membrane lipid homeostasis dually regulates conformational transition of phosphoethanolamine transferase EptA. Nat Commun. 2024 Nov 23;15(1):10166.

2) Zhu J, Xu L, Wang W, Xiao M, Li J, Wang L, Jiang X*. Molecular Dynamics Simulations Reveal Octanoylated Hyaluronic Acid Enhances Liposome Stability, Stealth and Targeting. ACS Omega. 2024 Jul 23;9(31):33833-33844.

3) Liu Z, Cao X, Ma Z, Xu L, Wang L, Li J, Xiao M, Jiang X*. Enhanced Sampling Molecular Dynamics Simulations Reveal Transport Mechanism of Glycoconjugate Drugs through GLUT1. Int J Mol Sci. 2024 May 17;25(10):5486.

4) Liu P, Chen X, Cao X, Wang Y, Gao Y, Xu L, Jiang X*, Xiao M*. Semi-rational engineering of an α-L-fucosidase for regioselective synthesis of fucosyl-N-acetylglucosamine disaccharides. Food Chem: Mol Sci. 2025 Feb 11;10:100244.

5) Han ML, Alsaadi Y, Zhao J, Zhu Y, Lu J, Jiang X, Ma W, Patil NA, Dunstan RA, Le Brun AP, Wickremasinghe H, Hu X, Wu Y, Yu HH, Wang J, Barlow CK, Bergen PJ, Shen HH, Lithgow T, Creek DJ, Velkov T, Li J. Arginine catabolism is essential to polymyxin dependence in Acinetobacter baumannii. Cell Rep. 2024 Jul 23;43(7):114410.

6) Jiang X^#, Patil NA, Xu Y, Wickremasinghe H, Zhou QT, Zhou F, Thompson PE, Wang L, Xiao M, Roberts KD, Velkov T, Li J. Structure-Interaction Relationship of Polymyxins with Lung Surfactant. J Med Chem. 2023 Dec 14;66(23):16109-16119.

7) Ma Z, Mu K, Zhu J, Xiao M, Wang L, Jiang X*. Molecular dynamics simulations identify the topological weak spots of a protease CN2S8A. J Mol Graph Model. 2023 Nov;124:108571.

8) Li Z, Zhang L, Xu K, Jiang Y, Du J, Zhang X, Meng LH, Wu Q, Du L, Li X, Hu Y, Xie Z, Jiang X, Tang YJ, Wu R, Guo RT, Li S. Molecular insights into the catalytic promiscuity of a bacterial diterpene synthase. Nat Commun. 2023 Jul 6;14(1):4001.

9) Xu L, Shi F, Wu Y, Yao S, Wang Y, Jiang X, Su L, Liu X. Gasdermin E regulates the stability and activation of EGFR in human non-small cell lung cancer cells. Cell Commun Signal. 2023 Apr 21;21(1):83.

10) Cao X, Yang X, Xiao M, Jiang X*. Molecular Dynamics Simulations Reveal the Conformational Transition of GH33 Sialidases. Int J Mol Sci. 2023 Apr 6;24(7):6830.

11) Patil NA, Ma W, Jiang X, He X, Yu HH, Wickremasinghe H, Wang J, Thompson PE, Velkov T, Roberts KD, Li J. Critical Role of Position 10 Residue in the Polymyxin Antimicrobial Activity. J Med Chem. 2023 Feb 23;66(4):2865-2876.

12) Jiang X^#, Han M, Tran K, Patil NA, Ma W, Roberts KD, Xiao M, Sommer B, Schreiber F, Wang L, Velkov T, Li J. An Intelligent Strategy with All-Atom Molecular Dynamics Simulations for the Design of Lipopeptides against Multidrug-Resistant Pseudomonas aeruginosa. J Med Chem. 2022 Jul 28;65(14):10001-10013.

13) Roberts KD, Zhu Y, Azad MAK, Han ML, Wang J, Wang L, Yu HH, Horne AS, Pinson JA, Rudd D, Voelcker NH, Patil NA, Zhao J, Jiang X, Lu J, Chen K, Lomovskaya O, Hecker SJ, Thompson PE, Nation RL, Dudley MN, Griffith DC, Velkov T, Li J. A synthetic lipopeptide targeting top-priority multidrug-resistant Gram-negative pathogens. Nat Commun. 2022 Mar 25;13(1):1625.

14) Liu X, Chen Z, Jiao X, Jiang X, Qiu J, You F, Long H, Cao H, Fowler CC, Gao X. Molecular Insights into the Assembly and Functional Diversification of Typhoid Toxin. mBio. 2022 Feb 22;13(1):e0191621.

15) Ma W, Jiang X, Dou Y, Zhang Z, Li J, Yuan B, Yang K. Biophysical Impact of Lipid A Modification Caused by Mobile Colistin Resistance Gene on Bacterial Outer Membranes. J Phys Chem Lett. 2021 Dec 9;12(48):11629-11635.

16) Yan Z, Cao X, Yang X, Yang S, Xu L, Jiang X*, Xiao M*. A Novel β-Glucosidase From Chryseobacterium scophthalmum 1433 for Efficient Rubusoside Production From Stevioside. Front Microbiol. 2021 Oct 12;12:744914.

17) Jiang X^#, Patil NA, Azad MAK, Wickremasinghe H, Yu H, Zhao J, Zhang X, Li M, Gong B, Wan L, Ma W, Thompson PE, Yang K, Yuan B, Schreiber F, Wang L, Velkov T, Roberts KD, Li J. A novel chemical biology and computational approach to expedite the discovery of new-generation polymyxins against life-threatening Acinetobacter baumannii. Chem Sci. 2021 Aug 19;12(36):12211-12220.

18) Jiang X^#, Sun Y, Yang K, Yuan B, Velkov T, Wang L, Li J. Coarse-grained simulations uncover Gram-negative bacterial defense against polymyxins by the outer membrane. Comput Struct Biotechnol J. 2021 Jul 1;19:3885-3891.

19) Song Y, Wu X, Zhao Y, Jiang X*, Wang L. Comparative molecular dynamics simulations identify a salt-sensitive loop responsible for the halotolerant activity of GH5 cellulases. J Biomol Struct Dyn. 2022;40(19):9522-9529.

20) Jiang X^#, Yang K, Yuan B, Gong B, Wan L, Patil NA, Swarbrick JD, Roberts KD, Schreiber F, Wang L, Velkov T, Li J. Simulations of octapeptin-outer membrane interactions reveal conformational flexibility is linked to antimicrobial potency. J Biol Chem. 2020 Nov 20;295(47):15902-15912.

21) Jiang X^#, Yang K, Yuan B, Han M, Zhu Y, Roberts KD, Patil NA, Li J, Gong B, Hancock REW, Velkov T, Schreiber F, Wang L, Li J. Molecular dynamics simulations informed by membrane lipidomics reveal the structure-interaction relationship of polymyxins with the lipid A-based outer membrane of Acinetobacter baumannii. J Antimicrob Chemother. 2020 Dec 1;75(12):3534-3543.

22) Jiang X^#, Yang K, Han ML, Yuan B, Li J, Gong B, Velkov T, Schreiber F, Wang L, Li J. Outer Membranes of Polymyxin-Resistant Acinetobacter baumannii with Phosphoethanolamine-Modified Lipid A and Lipopolysaccharide Loss Display Different Atomic-Scale Interactions with Polymyxins. ACS Infect Dis. 2020 Oct 9;6(10):2698-2708.

23) Zhu Y^#, Lu J^#, Han ML^#, Jiang X^#, Azad MAK, Patil NA, Lin YW, Zhao J, Hu Y, Yu HH, Chen K, Boyce JD, Dunstan RA, Lithgow T, Barlow CK, Li W, Schneider-Futschik EK, Wang J, Gong B, Sommer B, Creek DJ, Fu J, Wang L, Schreiber F, Velkov T, Li J. Polymyxins Bind to the Cell Surface of Unculturable Acinetobacter baumannii and Cause Unique Dependent Resistance. Adv Sci. 2020 Jun 8;7(15):2000704.

24) Jiang X^#, Zhang S, Azad MAK, Roberts KD, Wan L, Gong B, Yang K, Yuan B, Uddin H, Li J, Thompson PE, Velkov T, Fu J, Wang L, Li J. Structure-Interaction Relationship of Polymyxins with the Membrane of Human Kidney Proximal Tubular Cells. ACS Infect Dis. 2020 Aug 14;6(8):2110-2119.

25) Jiang X^#, Wang Y, Xu L, Chen G, Wang L. Substrate binding interferes with active site conformational dynamics in endoglucanase Cel5A from Thermobifida fusca. Biochem Biophys Res Commun. 2017 Sep 9;491(1):236-240.

26) Jiang X^#, Li W, Chen G, Wang L. Dynamic Perturbation of the Active Site Determines Reversible Thermal Inactivation in Glycoside Hydrolase Family 12. J Chem Inf Model. 2017 Feb 27;57(2):288-297.

27) Jiang X^#, Chen G, Wang L. Structural and dynamic evolution of the amphipathic N-terminus diversifies enzyme thermostability in the glycoside hydrolase family 12. Phys Chem Chem Phys. 2016 Aug 21;18(31):21340-50.