导师姓名：李燕
性别：女
人气指数：2598

所属院校：石河子大学
所属院系：药学院
职称：副教授
导师类型：
招生专业：药学
研究领域： 药物设计、系统药理学、生物信息学、医学信息处理、
研究领域： 药物设计、系统药理学、生物信息学、医学信息处理、 [收起]




通讯方式 :
办公电话：**
电子邮件：**@qq.com


个人简述 :


李燕，大连理工大学博士，副教授，硕士生导师，美国佛罗里达大学访问学者，石河子大学绿洲学者，主要研究方向为系统药理学、药物设计、生物信息学及医学信息处理。

药物对治疗疾病、造福人类健康的作用上功不可没，然而目前市场上很多药物（无论中药、西药）仍然存在副作用，或者很多重大类疾病，如艾滋病、帕金森病、肿瘤类、心血管疾病仍然存在无药可医，或疗效不佳、副作用强等问题，因此中、西药物的机理研究和药物分子设计和开发仍然是具有重大意义的研究课题。特别是中药作为一类典型的多化学成分和多作用靶点的药物，在许多复杂性疾病的治疗上虽具有显著疗效，但由于其化学成分、作用靶点和生物学通路的多样性，导致迄今大多数中药的作用机理仍不清楚，也难以借用目前的实验方法整体解析中药的活性成分、作用靶点和作用机理。因此，李燕所在课题组整合多种系统药理学、生物信息学、医学信息处理和药物设计方法，最终对中、西药作用体系都建立了一套较为成熟和优化的系统药理学研究平台（包括从成分数据集构建→由ADME药代、药动等参数进行的活性成分筛选→药物作用靶点预测识别验证→药理学网络构建与分析→作用机制分析和诠释→药物设计和验证流程），进而构建了一个较完善的多尺度中、西药作用分析体系。并借助于该体系从微观（分子、网络水平）到宏观（整体、器官水平）多个水平探索和研究了多种药物的作用机理。这一平台不仅有助于探索和诠释中药的复杂作用机理，还为指导和推进复方改良和优化、中西药物设计和优化、民族药改造和优化等中药的现代化、国际化提供了具有独特优势的研究工具。

目前，我们在该领域的研究已经在各类国内外学术期刊共发表科技论文154篇(含111篇英文、43篇中文)。其中被SCI收录111篇，总影响因子达326.2。其中，以第一或通讯作者身份在SCI. Rep-UK (IF: 5.2), ACS Chem Biol (IF: 5.1), Curr Med Chem (IF: 4.9)、Anal Chim Acta (IF: 4.7)、J Chem Inf Model (IF: 4.7)、Mol. Pharmaceutics (4.4)、Soft Matter、Plos One、Mol Bio Syst、Mol Divers、QSAR Comb Sci等国外期刊发表研究成果74篇, 总影响因子达153.5。并主编专著一部：《系统药理学：原理、方法及应用》，其目前已成为北京中医药大学研究生教材。在科研项目方面，主持了1项国家自然科学重点基金（温阳益气活血解毒法抗心肌纤维化的分子网络调控机制研究），1项国家自然科学青年基金（多尺度细胞模拟理论和算法研究）、2项地市级、2项校极项目，参与承担50多项项目。其中，对于“中医证候物质基础与中药功效分子网络靶点生物系统学解析”的研究于2014年获山东省自然科学二等奖。并先后获得多项省、市自然科学学术成果奖。在教书育人方面迄今已先后获得多次教学质量优良奖、优秀班主任、优秀指导老师奖，并培养了四名博士、十几名硕士研究生。
在所研究领域除获得两项国家自然科学基金（含一项重点项目）支持外，还获得了山东省部自然科学二等奖（排名第四），并在SCI. Rep-UK (IF: 5.2), ACS Chem Biol (IF: 5.1), Curr Med Chem (IF: 4.9)、Anal Chim Acta (IF: 4.7)、J Chem Inf Model (IF: 4.7)、Soft Matter、PloS One、Mol Bio Syst、Mol Divers、QSAR Comb Sci等各类国内外各种期刊上发表科技论文154篇，其中SCI收录论文111篇，总影响因子330.6。并作为主编出版专著一部，目前该专著已被国内各大高校图书馆收录，并被北京中医药大学采纳为研究生教材。具体如下：

出版专著

专著: 《系统药理学：原理、方法及应用》，大连理工大学出版社，2016年，主编

获奖情况

2014年 山东省自然科学二等奖 郑秋生 王永华 孙喜灵 李燕（排名第四）

题目：中医证候物质基础与中药功效分子网络靶点生物系统学解析

并获得多项省、市自然科学学术成果奖（共6次二等、三等奖）、校教学质量优良奖（3次）、校优秀毕业论文指导教师奖（4次）、优秀班主任（2次）、校年度考核优秀等荣誉称号，在国际杂志上发表的一篇英文论文还获得2013年国际风险协会年度最佳论文奖。



科研工作 :


在课题方面，主持含国家自然科学基金等4项项目。主持地市级横向项目2项，参与承担50多项。以下仅列出主持项目：

1. 温阳益气活血解毒法抗心肌纤维化的分子网络调控机制研究，国家自然科学基金（重点项目）；

2. 多尺度细胞模拟理论和算法研究，国家自然科学基金（青年项目）；

3. 肿瘤多药耐药P糖蛋白逆转剂的计算机辅助研究；

4. 药物吸收、分布、代谢、排泄、毒性计算机辅助研究；

5. 低温甲醇洗可研方案；

6. 锡林郭勒苏尼特碱业有限公司节能降耗技术改造方案
药物设计；

系统药理学；

生物信息学；

医学信息处理

为Trends in Pharmacological Sciences、Medicinal Research Reviews等几十家国外杂志担任审稿专家
目前在系统药理学、药物设计等研究领域共发表科技论文154篇，包括111篇英文和43篇中文。其中SCI收录论文111篇，总影响因子达330.6。

以下仅列出部分英文论文：

1) 2017年:

1. J Wang, Y Li*, Y Yang, J Du, M Zhao, F Lin, S Zhang, B Wang. Systems Pharmacology dissection of multi-scale mechanisms of action for herbal medicines in treating rheumatoid arthritis. Mol. Pharmaceutics 2017, 14(9):3201-3217. (SCI, IF: 4.44).

2. Y Li*, J Wang, F Lin, Y Yang, S Chen. A Methodology for Cancer Therapeutics by Systems Pharmacology-Based Analysis: A Case Study on Breast Cancer-Related Traditional Chinese Medicines. PLoS ONE, 2017, 12(1): e** (SCI, IF: 3.057).

3. Y Yang, Y Li,* J Wang, K Sun, W Tao, Z Wang, W Xiao, Y Pan, S Zhang, Y Wang. Systematic Investigation of Ginkgo biloba Leaves for Treating Cardio-cerebrovascular Diseases in an Animal Model. ACS Chem. Biol. 2017, 12, 1363?1372. (SCI, IF: 5.09)

4. J Wang, Y Li, * Y Yang, X Chen, J Du, Q Zheng, Z Liang, Y Wang. A New Strategy for Deleting Animal drugs from Traditional Chinese Medicines based on Modified Yimusake Formula. SCI. Rep.-UK. 2017, 7: 1504. (SCI, IF: 5.228)

5, F Lin, F Li, C Wang, J Wang, Y Yang, L Yang, Y Li,* Mechanism Exploration of Arylpiperazine Derivatives Targeting the 5-HT2A Receptor by In Silico Methods, Molecules, 2017, 22(7): 1064 (SCI, IF: 2.861)

2) 2016年:

6. F Lin, X Fu, C Wang, S Jang, J Wang, S Zhang, L Yang, Y Li*. QSAR, Molecular Docking and Molecular Dynamics on 3C-like Protease Inhibitors. Acta Phys. Chim. Sin. 2016, 32(11):2693-2708. (SCI, IF: 0.844).

7. J Wang, Y Yang, Y Li*, YH Wang. Computational Study Exploring the Interaction Mechanism of Benzimidazole Derivatives as Potent Cattle Bovine Viral Diarrhea Virus Inhibitors. J. Agric. Food Chem. 2016, 64 (29):5941–5950. (SCI, IF: 2.857).

8. Q Wu, X Li*, Q Gao, J Wang, Y Li*, L Yang. Interaction mechanism exploration of HEA derivatives as BACE1 inhibitors by in silico analysis. Molecular BioSystems, 2016, 12(4):1151-1165. (SCI, IF: 2.829).

9. Y Yang, Y Li*, Y Pan, J Wang, F Lin, C Wang, S Zhang, L Yang. Computational Analysis of Structure-Based Interactions for Novel H1–Antihistamines. Int. J. Mol. Sci. 2016, 17(1):129-147. (SCI, IF: 3.257).

3) 2015年:

10. J Zhang, Y Li*, S S Chen, L Zhang, J Wang, Y Yang, S Zhang, Y Pan, Y Wang, L Yang. Systems pharmacology dissection of the anti-inflammatory mechanism for the medicinal herb Folium Eriobotryae. Int J Mol Sci, 2015, 16(2):2913-2941. (SCI, IF: 3.257)

11. Y Li*, J Wang, Y Xiao, Y Wang, S Chen, Y Yang, A Lu, S Zhang. A systems pharmacology approach to investigate the mechanisms of action of Semen Strychni and Tripterygium wilfordii Hook F for treatment of rheumatoid arthritis. J Ethnopharmacol, 2015, 175(4): 301-314. (SCI, IF=3.055).

12. Y Li*, J Zhang, W Gao, L Zhang, Y Pan, S Zhang, Y Wang*. Insights on structural characteristics and ligand binding mechanisms of CDK2. Int. J. Mol. Sci. 2015, 16:9314-9340. (SCI, IF:3.257).

13. J Wang, Y Li*, Y Yang, J Du, S Zhang, L Yang. In silico research to assist the investigation of carboxamides derivatives as potent TRPV1 antagonists. Mol. BioSyst., 2015, 11(11):2885-2899. (SCI, IF=3.210)

14. Y Li*, J Zhang, L Zhang, X Chen, Y Pan, S Chen, S Zhang, Z Wang, W Xiao*, L Yang, Y Wang. Systems pharmacology to decipher the combinational anti-migraine effects of Tianshu Formula. J Ethnopharmacol, 2015, 174(4):45-56. (SCI, IF=3.055)

15. J Zhang, Y Li*, S Chen, L Zhang, J Wang, Y Yang, S Zhang, Y Pan, Y Wang, L Yang. Systems pharmacology dissection of the anti-inflammatory mechanism for the medicinal herb folium eriobotryae. Int. J. Mol. Sci. 2015, 16:2913-2941. (SCI, IF: 3.257).

16. Y Li*, D Wang, Y Yang, J Zhang, C Han, J Wang, W Gao, G Zhang, X Sun, B Wang, S Zhang, L Yang. The 3D-QSAR and pharmacophore studies of pyrimidine derivatives as HCV replication (replicase) inhibitor. Medicinal Chemistry Research, 2015, 24:2033-2042. (SCI, IF: 1.436)

17. Y Wang, C Zheng, C Huang, Y Li*, X Chen, Z Wu, Z Wang, W Xiao, B Zhang. Systems pharmacology dissecting holistic medicine for treatment of complex diseases: an example using cardiocerebrovascular diseases treated by TCM. Evid-based Compl Alt, 2015,20:1-19.(SCI:1.931)

4) 2014年:

18. J Zhang, Y Li*, X Chen, Y Pan, S Zhang, Y Wang. Systems pharmacology dissection of multi-scale mechanisms of action for herbal medicines in stroke treatment and prevention. PLoS ONE, 2014, 9(8): e102506. (SCI, IF: 3.730)

19. M Wu, Y Li*, X Fu, J Wang, S Zhang, L Yang. Profiling the Interaction Mechanism of Quinoline/Quinazoline Derivatives as MCHR1 Antagonists: An in Silico Method. Int. J. Mol. Sci. 2014, 15(9):15475-15502. (SCI, IF: 3.257)

20. Y Li*, H He, J Wang, C Han, J, S Zhang, L Yang. Exploring details about structure requirements based on novel CGRP receptor antagonists urethanamide, aspartate, succinate and pyridine derivatives by in silico methods, J Mol Struct 2014, 1074: 294-301 (SCI, IF: 1.602)

21. J Zhang, Y Li*, S Zhang, L Yang. Structural requirements for colchicine binding site-targeted 2-arylthiazolidine-4-carboxylic acid amides derivatives as melanoma antagonists. Med Chem. 2014, 10(3): 277-286 (SCI, IF: 1.458)

22. Y Li*, C Han, J Wang, S Zhang, L Yang. Investigation into the Mechanism of Eucommia ulmoides Oliv. Based on A Systems Pharmacology Approach. J Ethnopharmacol, 2014, 151(1): 452-460. (SCI, IF=2.998)

5) 2013年:

23. Y Li*, C Han, J Wang, S Zhang, L Yang. Insight into the structural features of pyrazolopyrimidine and pyrazolopyridine-based B-RafV600E kinase inhibitors by computational explorations. Chem Biol & Drug Des. 2013, 83(6): 643-655 (SCI, IF: 2.469)

24. Y Yang, J Wang, Y Li*, S Zhang, L Yang. Structure Determinants of Indolin-2-on-3-spirothiazolidinones as MptpB Inhibitors: An In Silico Study. Soft Matter, 2013, 9: 11054-11077. (SCI, IF=3.909)

25. Y Li*, W Gao, F Li, J Wang, J Zhang, Y Yang, S Zhang, L Yang. An In Silico Exploration of the Interaction Mechanism of Pyrazolo[1,5-a]pyrimidine Type CDK2 Inhibitors. Mol BioSyst. 2013, 9: 2266-2281. (SCI, IF: 3.534)

26. J Wang, F Li, Y Li*, Y Yang, S Zhang, L Yang. Structural features of falcipain-3 inhibitors: an in silico study. Mol BioSyst. 2013, 9(9): 2296-2310. (SCI, IF: 3.534)

27. J Wang, F Li, Y Li*, Y Yang, B Wang, S Zhang, L Yang. Insight into the structural requirements of benzimidazole derivatives as interleukin-2 inducible T-cell kinase inhibitors by computational explorations. Int J Quantum Chem. 2013, 113: 2385-2396 (SCI, EI, IF: 1.357)

28. Q Wu, Q Gao, H Guo, D Li, J Wang, W Gao, C Han, Y Li*, L Yang. Inhibition mechanism exploration of quinoline derivatives as PDE10A inhibitors by in silico analysis. Mol Bio Syst. 2013, 9: 386-397. (SCI, IF: 3.534)

29. J Wang, Y Li*, Y Yang, S Zhang, L Yang. Profiling the structural determinants of heteroarylnitrile scaffold-based derivatives as falcipain-2 inhibitors by in silico methods. Curr Med Chem, 2013, 20(15): 2032-2042 (SCI, IF: 4.859).

30. W Zhou, C Huang, Y Li*, J Duan, L Yang. A systematic identification of multiple toxin-target interactions based on chemical, genomic and toxicological data. Toxicology, 2013, 304: 173-184. (SCI, IF: 3.681)

6) 2012年:

31. Y Li*, M Hao, H Ren, S Zhang, X Wang, Z Ma, G Li, L Yang. Exploring the structure requirement for PKCθ inhibitory activity of pyridinecarbonitrile derivatives: an in-silico analysis. J Mol Graph Model, 2012, 34: 76-88 (SCI, IF: 2.184).

32. Y Li*, W Wu, H Ren, J Wang, S Zhang, G Li, L Yang. Exploring the structure determinants of pyrazinone derivatives as PDE5 3HC8 inhibitors: An in silico analysis. J Mol Graph Model, 2012, 34: 76-88 (SCI, IF: 2.184).

33. J Liu, Y Li*, S Zhang, C Ai, Y Yan. Studies of phenylethynyl-pyrrolo[1,2-a]pyrazine as mGluR5 antagonists using 3D-QSAR method. Asian J Chem, 2012, 24(1): 238-248 (SCI, IF: 0.266).

34. J Liu, Y Li*, H Zhang, S Zhang, L Yang. Studies of H4R antagonists using 3D-QSAR, molecular docking and molecular dynamics. J Mol Model, 2012, 18(3): 991-1001. (SCI, IF: 1.797).

35. Z Liu, Y Li*, S Zhang, Y Wang. Structure requirements for 4-Aryl-4H-chromenes as apoptosis inducers using 3D QSAR methods and docking studies. Asian J Chem, 2012, 24(6): 2450-2460. (SCI, IF: 0.266).

36. C Huang, Y Li*, H Ren, J Wang, L Shao, S Zhang, G Li, L Yang. Yang. Insight into the structural determinants of imidazole scaffold-based derivatives as P38 MAP Kinase inhibitors by computational explorations. Curr Med Chem, 2012, 19(23): 4024-4037 (SCI, IF: 4.859).

37. Y Mao, Y Li*, M Hao, S Zhang, C Ai. Docking, molecular dynamics and quantitative structure-activity relationship studies for HEPTs and DABOs as HIV-1 reverse transcriptase inhibitors. J Mol Model, 2012, 18(5):2185-2198. (SCI, IF: 1.797).

38. X Xu, Z Ma, X Wang, Z Xiao, Y Li, Za Xue, Y Wang*. Water's potential role: insights from studies of the p53 core domain. J Struct Bio, 2012, 177: 358-366 (SCI, IF: 3.670).

39. H Zhang, Y Li, X Wang, Y Wang*. Probing the Structural Requirements of A-type Aurora Kinase Inhibitors Using 3D-QSAR and Molecular Docking Analysis. J Mol Model. 2012, 18:1107-1122(SCI, IF：1.797).

40. J Wang, F Wang, Z Xiao, G Sheng, Y Li, Y Wang*. Molecular simulation of a series of benzothiazole PI3Kα inhibitors: probing the relationship between structural features, anti-tumor potency and selectivity, J Mol Model, 2012, 18:2943-2958 (SCI, IF: 1.797).

41. X Xu, X Wang, Z Xiao, Y Li, Y Wang*. Probing the structural and functional link between mutation- and pH-dependent hydration dynamics and amyloidosis of transthyretin. Soft Matter, 2012, 8(2): 324-336 (SCI, IF: 4.390)

42. X Wang, X Xu, W Tao, Y Li, Y Wang*, L Yang. A systems biology approach to uncover pharmacological synergy in herbal medicines with applications to cardiovascular disease. Evid-Based Compl Alt 2012, doi:10.1155/2012/51903 (SCI, IF: 4.774).

43. X Wang, X Xu, Y Li, X Li, W Tao, B Li, Y Wang, L Yang. Systems pharmacology uncovers Janus functions of botanical drugs: activation of host defense system and inhibition of influenza virus replication. Integr Biol (Camb)., 2012, Nov 20. (SCI, IF: 4.509) [Epub ahead of print]

44. W Tao, X Xu, X Wang, B Li, Y Wang, Y Li, L Yang. Network pharmacology-based prediction of the active ingredients and potential targets of Chinese herbal Radix Curcumae formula for application to cardiovascular disease. J Ethnopharmacol. 2012, Nov 6. pii: S0378-8741(12)00727-1. doi: 10.1016/j.jep.2012.09.051. [Epub ahead of print] (SCI, IF: 3.014)

45. Q Li, Y Fang, X Li, H Zhang, M Liu, H Yang, Z Kang, Y Li, Y Wang. Mechanism of the plant cytochrome P450 for herbicide resistance: a modelling study. J Enzyme Inhib Med Chem. 2012, Oct 11. [Epub ahead of print] doi:10.3109/**.2012.719505 (SCI, IF: 1.617)

46. X Li, X Xu, J Wang, H Yu, X Wang, H Yang, H Xu, S Tang, Y Li, L Yang, L Huang, Y Wang, S Yang. A system-level investigation into the mechanisms of Chinese Traditional Medicine: Compound Danshen Formula for cardiovascular disease treatment. PLoS One. 20127(9):e43918. (SCI, IF: 4.092)

47. X Xu, W Zhang, C Huang, Y Li, H Yu, Y Wang, J Duan, Y Ling. A novel chemometric method for the prediction of human oral bioavailability. Int J Mol Sci. 2012, 13(6): 6964-6982. (SCI, IF: 2.598)

48. H Yu, J Chen, X Xu, Y Li, H Zhao, Y Fang, X Li, W Zhou, W Wang, Y Wang. A systematic prediction of multiple drug-target interactions from chemical, genomic, and pharmacological data. PLoS One. 2012 7(5): e37608. (SCI, IF: 4.092)

49. X Xu, X Wang, Y Li, Y Wang, L Yang. A large-scale association study for nanoparticle C60 uncovers mechanisms of nanotoxicity disrupting the native conformations of DNA/RNA. Nucleic Acids Res, 2012, 40:7622-7632.(SCI, IF: 8.026)

50. J Liu, M Liu, Y Yao, J Wang, Y Li, G Li, Y Wang. Identification of Novel Potential β-N-Acetyl-D-Hexosaminidase Inhibitors by Virtual Screening, Molecular Dynamics Simulation and MM-PBSA Calculations. Int J Mol Sci. 2012, 13(4): 4545-4563 (SCI, IF: 2.598)

51. H Zhang, Y Yao, H Yang, X Wang, Z Kang, Y Li, G Li, Y Wang. Molecular dynamics and free energy studies on the carboxypeptidases complexed with peptide/small molecular inhibitor: mechanism for drug resistance. Insect Biochem Mol Biol. 2012, 42(8): 583-595. (SCI, IF: 3.246)

52. Z Ma, Z Xue, H Zhang, Y Li, Y Wang. Local and global effects of Mg2+ on Ago and miRNA-target interactions. J Mol Model. 2012, 18(8): 3769-3781. (SCI, IF: 1.797)

53. F Wang, Z Ma, Y Li, J Wang, Y Wang. Structural requirements of pyrimidine, thienopyridine and ureido thiophene carboxamide-based inhibitors of the checkpoint kinase 1: QSAR, docking, molecular dynamics analysis. J Mol Model. 2012, 18(7): 3227-3242. (SCI, IF: 1.797).

54. X Wang, X Xu, S Zhu, Z Xiao, Z Ma, Y Li, Y Wang. Molecular dynamics simulation of conformational heterogeneity in transportin 1. Proteins. 2012, 80(2): 382–397. (SCI, EI, IF: 3.392)

55. Q Li, X Kong, Z Xiao, L Zhang, F Wang, H Zhang, Y Li, Y Wang. Structural determinants of imidacloprid-based nicotinic acetylcholine receptor inhibitors identified using 3D-QSAR, docking and molecular dynamics. J Mol Model. 2012, 18(6): 2279-2289. (SCI, IF: 1.797).

56. J Wang, F Wang, Z Xiao, G Sheng, Y Li, Y Wang. Molecular simulation of a series of benzothiazole PI3Kα inhibitors: probing the relationship between structural features, anti-tumor potency and selectivity. J Mol Model. 2012, 18(7): 2943-2958. (SCI, IF: 1.797).

57. F Wang, Y Li, Z Ma, X Wang, Y Wang. Structural determinants of benzodiazepinedione/peptide-based p53-HDM(2) inhibitors using 3D-QSAR, docking and molecular dynamics. J Mol Model, 2012, 18(1): 295-306 (SCI, IF=1.797).

58. H Zhang, Y Li, X Wang, Y Wang. Probing the structural requirements of A-type Aurora kinase inhibitors using 3D-QSAR and molecular docking analysis. J Mol Model. 2012, 18(3): 1107-1122(SCI, IF=1.797).

59. H Zhang, Y Yao, H Yang, X Wang, Z Kang, Y Li, G Li, Y Wang. Molecular dynamics and free energy studies on the carboxypeptidases complexed with peptide/small molecular inhibitor: Mechanism for drug resistance. Insect Biochem Molec, 2012, 42(8): 583-595. (SCI, IF=3.246)

60. Z Liu, Y Li*, H Ren, S Zhang, Y Wang, G Li, L Yang. Structure requirements for 4-aryl-4H-chromenes as apoptosis inducers using 3D QSAR methods and docking studies. Asian J Chem, 2012, 24(6):2450-2460.(SCI:0.355)

7) 2011年:

61. P Bao, X Zhang, H Ren, Y Li*, Z Mu, S Zhang, G Li, L Yang. Structural Requirements of N-Substituted Spiropiperidine Analogues as Agonists of Nociceptin/Orphanin FQ Receptor. Int J Mol Sci, 2011, 12: 8961-8981.(SCI, IF: 2.598).

62. M Hao, X Zhang, H Ren, Y Li*, S Zhang, F Luo, M Ji, G Li, L Yang. In silico identification of structure requirement for novel thiazole and oxazole derivatives as potent fructose 1,6-bisphosphatase inhibitors. Int J Mol Sci, 2011, 12:8161-8180. (SCI, IF: 2.598).

63. H Zhang, Y Li*, X Wang, Z Xiao, Y Wang. Insight into the structural requirements of benzothiadiazine scaffold-based derivatives as Hepatitis C Virus NS5B polymerase inhibitors using 3D-QSAR, molecular docking and molecular dynamics. Curr Med Chem, 2011, 18(26): 4019-4028. (SCI, IF: 4.859).

64. M Hao, Y Li*, Y Wang, Y Yan, S Zhang. Combined 3D-QSAR, molecular docking and molecular dynamics study on piperazinyl-glutamate-pyridines/pyrimidines as potent P2Y12 antagonists for inhibition of platelet aggregation. J Chem Inf Model, 2011, 51, 2560-2572. (SCI, EI, IF: 4.675).

65 M Hao, Y Li*, Y Wang, S Zhang. Prediction of P2Y12 antagonists using a novel genetic algorithm-support vector machine coulpled approach. Anal Chim Acta, 2011, 690:53-63. (SCI, EI, IF: 4.555).

66. M Zhang, X Zhang, Y Li*, W Fan, Y Wang, M Hao, S Zhang, C Ai. Investigation on quantitative structure activity relationships and pharmacophore modeling of a series of mGluR2 antagonists. Int J Mol Sci, 2011, 12: 5999-6023. (SCI, IF: 2.598).

67. M Hao, Y Li*, H Li, S Zhang. Investigation of the structure requirement for 5-HT6 binding affinity of arylsulfonyl derivatives: a computational study. Int J Mol Sci, 2011, 12: 5011-5030. (SCI, IF: 2.598).

68. M Hao, Y Li*, Y Wang, S Zhang. A classification study of human β3-adrenergic receptor agonists using BCUT descriptors, Mol Divers, 2011, 15(4): 877-887. (SCI, IF: 3.153).

69. M Hao, Y Li*, S Zhang, W Yang. Investigation on the binding mode of benzothiophene analogs as potent factor IXa (FIXa) inhibitors in thrombosis by CoMFA, docking and molecular dynamic studies. J Enzyme Inhib Med Chem, 2011, 26(6):792-804. (SCI, IF: 1.617).

70. J Liu, Y Li*, S Zhang, Z Xiao, C Ai. Studies of new fused benzazepine as selective dopamine D3 receptor antagonists using 3D-QSAR, molecular docking and molecular dynamics. Int J Mol Sci, 2011, 12: 1196-1221. (SCI, IF: 2.598).

71. M Hao, Y Li*, Y Wang, S Zhang. A classification study of respiratory syncytial virus (RSV) inhibitors by variable selection with Random Forest. Int J Mol Sci, 2011, 12: 1259-1280. (SCI, IF: 2.598).

72. Y Yan, Y Li*, S Zhang, C Ai. Studies of tricyclic piperazine/piperidine furnished molecules as novel integrin αvβ3 /αIIbβ3 dual antagonists using 3D-QSAR and molecular docking. J Mol Graph Model, 2011, 29: 747-762. (SCI, EI, IF: 2.184).

73 Y Han, Y Li*, J Liu, Y Wang, S Zhang. Dynamic analysis of feedback loops in extra-cellular signal regulated kinase signal network. J Next Gene Inform Technol, 2011, 2(1): 88-96.

74. Z Xiao, X Wang, X Xu, H Zhang, Y Li, Y Wang*. Base- and Structure-Dependent DNA Dinucleotide-Carbon Nanotube Interactions: Molecular Dynamics Simulations and Thermodynamic Analysis. J Phys Chem C. 2011, 115(44): 21546-21558(SCI, IF: 4.805).

75. X Wang, X Xu, Z Ma, Y Huo, Z Xiao, Y Li, Y Wang*. Dynamic mechanisms for pre-miRNA binding and export by Exportin-5. RNA, 2011, 17: 1511-1528 (SCI, IF: 6.09).

76. W Zhou, Y Li, X Wang, L Wu, Y Wang. MiR-206-mediated dynamic mechanism of the mammalian circadian clock. BMC Syst Biol, 2011, 5:141 (SCI, IF=3.148)

77. F Wang, Z Ma, Y Li, S Zhu, Z Xiao, H Zhang, Y Wang. Development of in silico models for pyrazoles and pyrimidine derivatives as cyclin-dependent kinase 2 inhibitors. J Mol Graph Model. 2011, 30: 67-81. (SCI, IF: 2.184)

78. X Wang, X Xu, Z Ma, Y Huo, Z Xiao, Y Li, Y Wang. Dynamic mechanisms for pre-miRNA binding and export by Exportin-5. RNA. 2011, 17(8): 1511-1128. (SCI, IF=5.095)

79. X Xu, X Wang, Z Xiao, Y Li, Y Wang. Two TPX2-dependent switches control the activity of Aurora A. PLoS One. 2011, 6(2): e16757. (SCI, IF: 4.092)

80. X Xu, W Yang, X Wang, Y Li, Y Wang, C Ai. Dynamic communication between androgen and coactivator: mutually induced conformational perturbations in androgen receptor ligand-binding domain. Proteins. 2011, 79(4): 1154-1171. (SCI, EI, IF: 3.392)

81. H Wang, Y Li, H Huang, X Xu, Y Wang. Toxicity evaluation of single and mixed antifouling biocides using the Strongylocentrotus intermedius sea urchin embryo test. Environ Toxicol Chem. 2011, 30(3): 692-703. (SCI, EI, IF: 2.809)

82. X Xu, X Wang, Y Li, Y Wang, Y Wang. Acute toxicity and synergism of binary mixtures of antifouling biocides with heavy metals to embryos of sea urchin Glyptocidaris crenularis. Hum Exp Toxicol. 2011, 30(8): 1009-1021. (SCI, EI, IF: 1.772)

83. X Xu, Y Li, Y Wang, Y Wang. Assessment of toxic interactions of heavy metals in multi-component mixtures using sea urchin embryo-larval bioassay. Toxicol In Vitro. 2011, 25(1): 294-300. (SCI, EI, IF: 2.775)

8) 2010年:

84. B Zhang, Y Li*, H Zhang, C Ai. 3D-QSAR and molecular docking studies on derivatives of MK-0457, GSK** and SNS-314 as inhibitors against Aurora B kinase. Int J Mol Sci, 2010, 11: 4326-4347. (SCI, IF: 2.598).

85. M Hao, Y Li*, Y Wang, S Zhang. Prediction of PKCθ inhibitory activity using the random forest algorithm. Int J Mol Sci, 2010, 11: 3413-3433. (SCI, IF: 2.598).

86. Z Wang, Y Li, C Ai, Y Wang. In silico prediction of estrogen receptor subtype binding affinity and selectivity using statistical methods and molecular docking with 2-arylnaphthalenes and 2-arylquinolines. Int J Mol Sci. 2010, 11(9): 3434-3458.(SCI, IF: 2.598)

87. Y Wang, Y Li, Z Ma, W Yang, C Ai. Mechanism of microRNA-target interaction: molecular dynamics simulations and thermodynamics analysis. PLoS Comput Biol. 2010, 6(7): e**. (SCI, IF: 5.215)

88. C Ai, Y Li, Y Wang, W Li, P Dong, G Ge, L Yang. Investigation of binding features: Effects on the interaction between P450 2A6 and inhibitors. J Comput Chem, 2010, 31(9), 1822-1831(SCI, IF: 4.583).

89. X Xu, W Yang, Y Li, Y Wang. Discovery of estrogen receptor modulators: a review of virtual screening and SAR efforts. Expert Opin Drug Discov. 2010, 5(1): 21-31. (SCI, IF: 2.116)

90. X Wang, Y Li, X Xue, Y Wang. Toward a system-level understanding of micro RNA pathway via mathematical modeling. BioSystems. 2010, 100(1): 31-38. (SCI, IF: 1.784)

91. X Wang, W Yang, X Xu, H Zhang, Y Li, Y Wang*. Studies of benzothiadiazine derivatives as Hepatitis C Virus NS5B polymerase inhibitors using 3D-QSAR, molecular docking and molecular dynamics. Curr Med Chem, 2010, 17(25): 2788-2803 (SCI, IF: 4.859).

9) 2009年:

92. Y Li, Y Wang, J Ding, Y Wang, Y Chang, S Zhang. In silico prediction of androgenic and nonandrogenic compounds using Random Forest. QSAR Comb Sci, 2009, 28(4): 396–405 (SCI, IF: 3.027)

93. C Ai, Y Li, Y Wang, Y Chen, L Yang. Insight into the effects of chiral isomers quinidine and quinine on CYP2D6 inhibition. Bioorg Med Chem Lett, 2009, 19(3): 803-806. (SCI, IF: 2.554)

94. G Wang, Y Li, X Liu, Y Wang. Understanding the Aquatic Toxicity of Pesticide: Structure-Activity Relationship and Molecular Descriptors to Distinguish the Ratings of Toxicity. QSAR & Comb Sci, 2009, 28:11-12, 1418 -1431 (SCI, IF: 3.027)

10) 2008年及之前:

95. X Sun, Y Li, X Liu, J Ding, Y Wang, H Shen, Y Chang. Classification of bioaccumulative and non-bioaccumulative chemicals using statistical learning approaches. Mol Divers, 2008, 12(3-4): 157-169. (SCI, IF: 3.153)

96. Y Wang, Y Li, J Ding, Y Wang, Y Chang. Prediction of binding affinity for estrogen receptorα?modulators using statistical learning approaches. Mol Divers, 2008, 12(2): 93-102. (SCI, IF: 3.153)

97. H Fang, Y Li*, Y Wang, S Zhang. Dynamic model and regulatory mechanism of integrated ERK signal pathway activated by epidermal growth factor. Fourth International Conference on Natural Computation (ICNC’08), IEEE Computer Society. 2008, 2: 348–354 (CPCI-S, EI).

98. C Ai, Y Wang, Y Li, Y Li, L Yang. A 3D-QSAR Study of Catechol-O-methyltransferase Inhibitors using CoMFA and CoMSIA. QSAR Comb Sci, 2008, 27(10): 1183-1192. (SCI, IF: 4.1)

99. Y Wang, Y Li, J Ding, Z Jiang, Y Chang. Estimation of bioconcentration factors using molecular electro-topological state and flexibility. SAR QSAR Environ Res, 2008, 19(3-4): 375-395. (SCI, IF: 2.086)

100. Y Wang, Y Li, B Wang. Stochastic simulations of the cytochrome P450 catalytic cycle. J Phys Chem B. 2007, 111(16): 4251-4260. (SCI, IF: 3.471).

101. Y Wang, Y Li, B Wang. An In Silico Method for Screening Nicotine Derivatives as Cytochrome P450 2A6 Selective Inhibitors Based on Kernel Partial Least Squares. Int J Mol Sci, 2007, 8, 166-179. (SCI, IF: 2.279)

102. Y Li, Y Wang, L Yang, S Zhang, C Liu. Structural determinants of flavones interacting with the C-terminal nucleotide-binding domain as P-glycoprotein inhibitors. Internet Electronic Journal of Molecular Design, 2006, 5(1): 1-12.

103. Y Li, Y Wang, L Yang, S Zhang, C Liu. Impact of molecular hydrophobic field on passive diffusion, P-glycoprotein active efflux, and P-glycoprotein modulation of steroids. Internet Electronic Journal of Molecular Design, 2006, 5(2): 60-78.

104. Y Li, Y Wang, Y Li, L Yang. Prediction of the Deleterious nsSNP in ABCB Transporters. FEBS Letters, 2006, 580(30): 6800-6806. (SCI, IF: 3.538).

105. Y Li, Y Wang, J Sun, Y Li, L Yang. Distribution of the functional MDR1 C3435T polymorphism in the Han population of China. Swiss Med Wkly. 2006, 136(23-24): 377-382 (SCI, IF: 1.895).

106. Y Wang, Y Li, Y Li, X Ma, S Yang, L Yang. Investigations into the analysis and modeling of the cytochrome P450 cycle. J Phys Chem B, 2006, 110(20): 10139–10143 (SCI, IF: 3.471).

107. Y Li, Y Wang, Y Li, L Yang. MDR1 Gene Polymorphisms and Clinical Relevance. Acta Genetica Sinica, 2006, 33 (2): 93-104.

108. Y Li, Y Wang, L Yang, S Zhang, C Liu, S Yang. Comparison of Steroid Substrates and Inhibitors of P-Glycoprotein by 3D-QSAR Analysis. J Mol Struct, 2005, 733: 111-118. (SCI, IF: 1.634)

109. Y Wang, Y Li, S Yang, L Yang. Classification of Substrates and Inhibitors of P-Glycoprotein Using Unsupervised Machine Learning Approach. J Chem Inf Model, 2005, 45: 750-757. (SCI, IF: 4.675)

110. Y Wang, Y Li, S Yang, L Yang. An In Silico Approach for Screening Flavonoids as P-glycoprotein Inhibitors Based on Bayesian-regularized Neural Network. J Comput Aid Mol Des, 2005, 19(3): 137-147. (SCI, IF: 3.386)

111. Y Wang, Y Li, Y Li, S Yang, L Yang. Modeling Km Values Using Electrotopological State: Substrates for Cytochrome P450 3A4-Mediated Metabolism. Bioorg Med Chem Lett, 2005, 15(18): 4076-4084. (SCI, IF: 2.554)
2006.7——2012.11 大连理工大学，讲师，硕士生导师。

2012.12——至今 大连理工大学 副教授；

2016.1月——至今 石河子大学 绿洲学者


教育背景 :
1993.9——1997.7 大连理工大学 化学工艺专业 学士学位；

2000.9——2003.7 大连理工大学 化学工艺专业 硕士学位；

2003.9——2006.7 大连理工大学（和中国科学院大连化学物理研究所联合培养）化学工艺专业 博士学位
2015.8——2016.8月 美国佛罗里达大学 访问学者