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首页 > Talent team > Cadre > 海洋医药健康信息中心 > 徐锡明

徐锡明

徐锡明 中国海洋大学副研究员 / 硕士生导师
Employer:

海洋医药健康信息中心

Research Direction:
  1. 1.    基于结构的海洋药物发现和设计

  2. 2.    海洋结构药理学

  3. 3.    分子对接方法研究


Intro:

本科和硕士毕业于兰州大学,博士毕业于巴黎第七大学,先后在巴黎心血管研究中心(INSERM U970)和巴黎巴斯德研究所从事博士后研究工作,回国后主要从事基于结构的海洋药物发现和设计,以及结构药理学研究,通过计算机辅助、生化模型、细胞模型等多尺度跨学科进行海洋药物筛选,以结构为重点,从构象、相互作用、水环境等进行设计,研究精准的分子对接方法,开发watvina分子对接工具。2016年入选常州市重点行业紧缺人才,2017年入选江苏省双创博士人才计划,近年来在PNAS、JMC等杂志上发表论文70余篇,授权发明专利10余项,主持国家自然科学基金、山东省重点研发计划子课题等项目。


Publications:

1.    Zhang S, Sun Y, Yao F, Li H, Yang Y, Li X, Bai Z, Hu Y, Wang P*, Xu X*. Ginkgo Biflavones Cause p53 Wild-Type Dependent Cell Death in a Transcription-Independent Manner of p53[J]. J Nat Prod. 2023. doi:10.1021 /acs.jnatprod.2c00959.

2.    Bai D, Sun Y, Li Q, Li H, Liang Y, Xu X*, Hao J*. Leonurine attenuates OVA-induced asthma via p38 MAPK/NF-κB signaling pathway[J]. Int Immunopharmacol. 2023;114:109483.

3.    Yang C#, Li D#, Wang S, Xu M, Wang D, Li X, Xu X*, Li C*. Inhibitory activities of alginate phosphate and sulfate derivatives against SARS-CoV-2 in vitro[J]. Int J Biol Macromol. 2023;227:316-328.

4.    Luo D#, Liu X#, Jiang L, Guo Z, Lv Y, Tian X, Wang X, Cui S, Wan S, Xu X*, Li X*, Qu X*. Rational Design, Synthesis, and Biological Evaluation of Novel S1PR2 Antagonists for Reversing 5-FU-Resistance in Colorectal Cancer[J]. J Med Chem. 2022,65(21):14553-14577.

5.    Zhang S, Wang Y, Sun Y, Zhao G, Wang J, Liu L, Liu F, Wang P*, Xu X*. 4′,7-Di-O-methylnaringenin (DMNG), a naringenin derivative, activates p53 signal pathway through down-regulating MDM2[J]. Journal of Functional Foods, 2022, 89: 104962.

6.    Zhang Y, Wang Y, Zhao Z, Peng W, Wang P, Xu X*, Zhao C*. Glutaminyl cyclases, the potential targets of cancer and neurodegenerative diseases[J]. European Journal of Pharmacology, 2022,931:175178.

7.    Zhao G#, Liu X#, Wang S#, Bai Z, Zhang S, Wang Y, Yu H*, Xu X*, Hydrogen bonding penalty used for virtual screening to discover potent inhibitors for Papain-Like cysteine proteases of SARS-CoV-2[J].Chemical Biology & Drug Design. 2022,100(4):502-514.

8.    Zhao C, Xie Y, Xu L, Ye F, Xu X, Yang W, Yang F, Guo J. Structures of a mammalian TRPM8 in closed state[J]. Nature Communications, 2022, 13(1): 3113.

9.    Zhang S, Wang Y, Sun Y, Zhao G, Wang J, Liu L, Liu F, Wang P, Yang J*, Xu X*. Hinokiflavone, as a MDM2 inhibitor, activates p53 signaling pathway to induce apoptosis in human colon cancer HCT116 cells[J]. Biochemical and Biophysical Research Communications, 2022, 594: 93–100.

10.    Wang J, Yu X, Ding Z J, Zhang X, Luo Y, Xu X, Xie Y, Li X, Yuan T, Zheng S J, Yang W, Guo J. Structural basis of ALMT1-mediated aluminum resistance in Arabidopsis[J]. Cell Research, 2022, 32(1): 89–98.

11.    Zhang S#, Wang Y#, Liu L, Zhao G, Sun Y, Wang J, Liu F, Wang P*, Xu X*. Virtual Screening Inhibitors of Ubiquitin-specific Protease 7 combining Pharmacophore Modeling and Molecular Docking[J]. Molecular Informatics, 2022,e2100273.

12.    Wang Y, Zhang S, Zhang Y, Yao F, Zhao G, Wang J, Liu L, Yang Y, Li X, Sun Y, Hu Y, Bai Z, Wang P*, Li R*, Xu X*. American Chemical Society, 2021. Screening and Evaluation of Flavonoids as Xanthine Oxidase Inhibitors for Reducing Uric Acid through Combined Cell Biology and Molecular Simulation[J]. ACS Food Science & Technology, 2021, 1(11): 2182–2191.

13.    Liu X, Liu Y, Zhao G, Zhang Y, Liu L, Wang J, Wang Y, Zhang S, Li X, Guo D, Wang P*, Xu X*. Biochemical Characterization of Arylamine N-acetyltransferases From Vibrio vulnificus[J]. Frontiers in Microbiology, 2021, 11.

14.    Li B, Zhou Q, Wang H, Zha Y, Zheng P, Yang T, Ma D, Qiu L, Xu X, Hu Y, Roig A, Yu S, Xue W. Mitochondria-targeted magnetic gold nanoheterostructure for multi-modal imaging guided photothermal and photodynamic therapy of triple-negative breast cancer[J]. Chemical Engineering Journal, 2021, 403.

15.    Xu X#, Zhang W#, Berthelet J, Liu R, Michail C, Chaffotte A F, Dupret J-M, Rodrigues-Lima F. From transglutaminases (TGs) to arylamine N-acetyltransferases (NATs): Insight into the role of a spatially conserved aromatic amino acid position in the active site of these two families of enzymes[J]. Biochemical and Biophysical Research Communications, 2020, 525(2): 308–312.

16.    Li Z, Li X, Huang Y-Y, Wu Y, Liu R, Zhou L, Lin Y, Wu D, Zhang L, Liu H, Xu X, Yu K, Zhang Y, Cui J, Zhan C-G, Wang X, Luo H-B. Identify potent SARS-CoV-2 main protease inhibitors via accelerated free energy perturbation-based virtual screening of existing drugs[J]. Proceedings of the National Academy of Sciences (PNAS), 2020, 117(44): 27381–27387.

17.    Aubey F#, Corre J-P#, Kong Y#, Xu X#, Obino D, Goussard S, Lapeyrere C, Souphron J, Couturier C, Renard S, Dumenil G. Inhibitors of the Neisseria meningitidis PilF ATPase provoke type IV pilus disassembly[J]. Proceedings of the National Academy of Sciences (PNAS), 2019, 116(17): 8481–8486.

18.    Xu X, Mathieu C, Berthelet J, Duval R, Linh Chi Bui, Busi F, Dupret J-M, Rodrigues-Lima F*. Human Arylamine N-Acetyltransferase 1 Is Inhibited by the Dithiocarbamate Pesticide Thiram[J]. Molecular Pharmacology, 2017, 92(3): 358–365.

19.    Li S#, Wang L#, Xu X#, Lin S, Wang Y, Hao J*, Sun M*. Structure-Based Design and Synthesis of a New Phenylboronic-Modified Affinity Medium for Metalloprotease Purification[J]. Marine Drugs, 2017, 15(1).


Patent:

1.    异噻(硒)唑酮类衍生物及其在抗冠状病毒药物中的应用(202110470383.9),位次1;

2.    一种具有尿酸盐转运蛋白1抑制活性的漆黄素及其制备方法与应用(202210387272.6);位次1;

3.    一种具有URAT1抑制活性的芫花素及其制备方法和应用(202210387271.1);位次1;

4.    替加色罗在制备用于预防或治疗冠状病毒感染的药物中的应用(202011398006.0),位次2;

5.    低聚甘露糖醛酸磷酸酯在制备用于预防和治疗新型冠状病毒感染的药物中的应用(202110173730.1),位次2;

6.    一种基于rmsd多特征的药物分子动力学结果分析方法(202010454509.9),位次3;

7.    一种石莼多糖裂解酶及其编码基因与应用(202010422452.4),位次3;

8.    冬凌草甲素衍生物及其制备方法和应用(201711462771.2),位次3;

9.    一种抑制尿酸盐转运蛋白1的甘松提取物及其制备方法与应用(202210387242.5),位次3;

10.    氨来占诺用于制备抗肝炎病毒药物的用途(201910556045.X);位次3;

11.    一种基于深度学习的干菜水分含量和菌落总数的实时检测方法(202110531732.3);位次3;


Project:

1.    “蓝色药库”新药研发培育项目MBX1907,主持;

2.    国家自然科学基金青年项目,空间保守位点对芳香胺N-乙酰转移酶催化机制的作用(31900910),主持;

3.    青岛市科技惠民示范引导专项, 新型冠状病毒肺炎防治的海洋药物筛选与疫情应对策略研究(20-4-1-4-nsh), 主持;

4.    山东省重点研发计划,海洋创新药物系统临床前研究与药物开发(2020CXGC010503),子课题负责人;

5.    山东省自然科学基金面上项目,新型分子对接技术 watvina 的开发(ZR2023MB058),主持;

6.    江苏省自然科学基金青年项目,具处理芳香胺污染应用前景的NAT机制研究(BK20170312),主持;

7.    国家自然科学基金专项项目,基于邻近氧化技术的精准氧化还原检测方法的建立和应用(32250014),参与;

8.    国家重点研发计划,药物××计算系统(2018YFB×××204),参与;

9.    山东省科技重大专项,海洋生物多糖类创新药物研发(2021ZDSYS22),参与。


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