Semi-rational engineering of an α-L-fucosidase for regioselective synthesis of fucosyl-N-acetylglucosamine disaccharides

Authors: Liu, Peng ^{a, b, 1}, Chen, Xiaodi ^{a, b, 1}, Cao, Xueting ^{a, 1}, Wang, Yuying ^a, Gao, Yafei ^a, Xu, Li ^a, Jiang, Xukai ^{a, ⁎}, Xiao, Min ^{a, ⁎}

Source: In Food Chemistry: Molecular Sciences June 2025 10

Arginine catabolism is essential to polymyxin dependence in Acinetobacter baumannii

Authors: Han, Mei-Ling, Alsaadi, Yasser, Zhao, Jinxin, Zhu, Yan, Lu, Jing, Jiang, Xukai, Ma, Wendong, Patil, Nitin A., Dunstan, Rhys A., Le Brun, Anton P., Wickremasinghe, Hasini, Hu, Xiaohan, Wu, Yimin, Yu, Heidi H., Wang, Jiping, Barlow, Christopher K., Bergen, Phillip J., Shen, Hsin-Hui, Lithgow, Trevor, Creek, Darren J., Velkov, Tony, Li, Jian

Source: In Cell Reports 23 July 2024 43(7)

Two natural compounds as potential inhibitors against the Helicobacter pylori and Acinetobacter baumannii IspD enzymes

Authors: Chen, Xiaoyu, Zhao, Huilin, Wang, Chuandong, Hamed, Mostafa, Shang, Qinghong, Yang, Yating, Diao, Xiaotong, Sun, Xiangnan, Hu, Wei, Jiang, Xukai, Zhang, Youming, Hirsch, Anna K.H., Wu, Dalei, Zhuang, Jingjing

Source: In International Journal of Antimicrobial Agents May 2024 63(5)

Molecular dynamics simulations identify the topological weak spots of a protease CN2S8A

Authors: Ma, Zhenyu, Mu, Kaijie, Zhu, Jingyi, Xiao, Min, Wang, Lushan, Jiang, Xukai

Source: In Journal of Molecular Graphics and Modelling November 2023 124

Data-driven strategies for the computational design of enzyme thermal stability: trends, perspectives, and prospects

Authors: Dou Zhixin, Sun Yuqing, Jiang Xukai, Wu Xiuyun, Li Yingjie, Gong Bin, Wang Lushan

Source: Acta Biochimica et Biophysica Sinica, Vol 55, Pp 343-355 (2023)

Subject Terms: enzyme design, data-driven, machine learning, thermal stability, Biochemistry, QD415-436, Genetics, QH426-470

File Description: electronic resource

Relation: https://doaj.org/toc/1672-9145

Access URL: https://doaj.org/article/ac98722c075e4671a73846e40f266988

Comparative molecular dynamics simulations identify a salt-sensitive loop responsible for the halotolerant activity of GH5 cellulases

Authors: Song, Yuxuan, Wu, Xiuyun, Zhao, Yue, Jiang, Xukai, Wang, Lushan

Source: Journal of biomolecular structure & dynamics. 40(19):9522-9529

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100169046524.0x000001&indx=1&recIds=ETOCvdc_100169046524.0x000001

Human dental pulp stem cells for spinal cord injury.

Authors: Wang, Kaizhong, Liu, Xiangyan, Jiang, Xukai, Chen, Shuang, Wang, Hui, Wang, Zhenbo, Wang, Qiwen, Li, Zhonghai

Source: Stem Cell Research & Therapy; 3/7/2025, Vol. 16 Issue 1, p1-15, 15p

Subject Terms: DENTAL pulp, MEDICAL sciences, SPINAL cord injuries, MESENCHYMAL stem cells, NERVOUS system regeneration

Interactions between polymyxin B and various bacterial membrane mimics: A molecular dynamics study

Authors: Sun, Yuliang, Deng, Zhixiong, Jiang, Xukai, Yuan, Bing, Yang, Kai

Source: In Colloids and Surfaces B: Biointerfaces March 2022 211

Coarse-grained simulations uncover Gram-negative bacterial defense against polymyxins by the outer membrane

Authors: Jiang, Xukai, Sun, Yuliang, Yang, Kai, Yuan, Bing, Velkov, Tony, Wang, Lushan, Li, Jian

Source: In Computational and Structural Biotechnology Journal 2021 19:3885-3891

A novel chemical biology and computational approach to expedite the discovery of new-generation polymyxins against life-threatening Acinetobacter baumanniiElectronic supplementary information (ESI) available. See DOI: 10.1039/d1sc03460j

Authors: Jiang, Xukai, Patil, Nitin A., Azad, Mohammad A. K., Wickremasinghe, Hasini, Yu, Heidi, Zhao, Jinxin, Zhang, Xinru, Li, Mengyao, Gong, Bin, Wan, Lin, Ma, Wendong, Thompson, Philip E., Yang, Kai, Yuan, Bing, Schreiber, Falk, Wang, Lushan, Velkov, Tony, Roberts, Kade D., Li, Jian

Source: Chemical science. 12(36):12211-12220

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100130217693.0x000001&indx=1&recIds=ETOCvdc_100130217693.0x000001

Membrane lipid homeostasis dually regulates conformational transition of phosphoethanolamine transferase EptA.

Authors: Ma, Zhenyu, Nang, Sue C., Liu, Zhuo, Zhu, Jingyi, Mu, Kaijie, Xu, Limei, Xiao, Min, Wang, Lushan, Li, Jian, Jiang, Xukai

Source: Nature Communications; 11/23/2024, Vol. 15 Issue 1, p1-14, 14p

Subject Terms: LIPOPOLYSACCHARIDE structure, BACTERIAL cell membranes, DRUG resistance in bacteria, DRUG resistance in microorganisms, MOLECULAR dynamics

Simulations of octapeptin–outer membrane interactions reveal conformational flexibility is linked to antimicrobial potency

Authors: Jiang, Xukai, Yang, Kai, Yuan, Bing, Gong, Bin, Wan, Lin, Patil, Nitin A., Swarbrick, James D., Roberts, Kade D., Schreiber, Falk, Wang, Lushan, Velkov, Tony ^*, Li, Jian ^*

Source: In Journal of Biological Chemistry 20 November 2020 295(47):15902-15912

Molecular Dynamics Simulations Reveal Octanoylated Hyaluronic Acid Enhances Liposome Stability, Stealth and Targeting.

Authors: Zhu, Jingyi, Xu, Limei, Wang, Wenxin, Xiao, Min, Li, Jian, Wang, Lushan, Jiang, Xukai

Source: ACS Omega; 8/6/2024, Vol. 9 Issue 31, p33833-33844, 12p

Three glycoside hydrolase family 12 enzymes display diversity in substrate specificities and synergistic action between each other

Authors: Zhu, Zhu, Qu, Jingyao, Yu, Lele, Jiang, Xukai, Liu, Guodong, Wang, Lushan, Qu, Yinbo, Qin, Yuqi

Source: MOLECULAR BIOLOGY REPORTS. 46(5):5443-5454

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100118593702.0x000001&indx=1&recIds=ETOCvdc_100118593702.0x000001

Enhanced Sampling Molecular Dynamics Simulations Reveal Transport Mechanism of Glycoconjugate Drugs through GLUT1.

Authors: Liu, Zhuo, Cao, Xueting, Ma, Zhenyu, Xu, Limei, Wang, Lushan, Li, Jian, Xiao, Min, Jiang, Xukai

Source: International Journal of Molecular Sciences; May2024, Vol. 25 Issue 10, p5486, 18p

Subject Terms: MOLECULAR dynamics, GIBBS' energy diagram, GLUCOSE transporters, ANTINEOPLASTIC agents, GLYCOCONJUGATES

Engineering the substrate preference of glucose oxidase for the enzymatic oxidation of xylose.

Authors: Wang, Yue, Cao, Xueting, Jiang, Shanshan, Gao, Liwei, Han, Xiaolong, Qu, Jingyao, Jiang, Xukai, Liu, Guodong, Qu, Yinbo

Source: Green Chemistry; 4/21/2024, Vol. 26 Issue 8, p4851-4859, 9p

Subject Terms: XYLOSE, GLUCOSE oxidase, MOLECULAR dynamics, LIGNOCELLULOSE, OXIDATION, ASPERGILLUS niger, HYDROXYL group

Trend of hybrid enzyme design in the big data era

Authors: Zhang, Qun, Wu, Xiuyun, Jiang, Xukai, Zhao, Yue, Wang, Lushan

Source: Shengwu gongcheng xuebao. 34(7):1033-1045

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCRN617657349&indx=1&recIds=ETOCRN617657349

Engineering the Relatively Conserved Residues in Active Site Architecture of Thermophilic Chitinase SsChi18A Enhanced Catalytic Activity.

Authors: Zhao, Sha, Liu, Mengyu, Sun, Xiaomeng, Jiang, Xukai, Li, Yingjie, Wu, Xiuyun, Wang, Lushan

Source: Biomacromolecules; 1/8/2024, Vol. 25 Issue 1, p238-247, 10p

Dynamic Perturbation of the Active Site Determines Reversible Thermal Inactivation in Glycoside Hydrolase Family 12

Authors: Jiang, Xukai, Li, Wen, Chen, Guanjun, Wang, Lushan

Source: JOURNAL OF CHEMICAL INFORMATION AND MODELING. 57(2):288-297

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCRN632674990&indx=1&recIds=ETOCRN632674990

Enhancement in catalytic activity of Aspergillus niger XynB by selective site-directed mutagenesis of active site amino acids

Authors: Wu, Xiuyun, Tian, Zhennan, Jiang, Xukai, Zhang, Qun, Wang, Lushan

Source: Applied microbiology and biotechnology. 102(1):249-260

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100125555239.0x000001&indx=1&recIds=ETOCvdc_100125555239.0x000001