石河子大學(xué)藥學(xué)院導(dǎo)師：李燕

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石河子大學(xué)藥學(xué)院導(dǎo)師：李燕

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石河子大學(xué)藥學(xué)院導(dǎo)師：李燕 正文

[導(dǎo)師姓名]
李燕

[所屬院校]
石河子大學(xué)

[基本信息]
導(dǎo)師姓名：李燕
性別：女
人氣指數(shù)：5060
所屬院校：石河子大學(xué)
所屬院系：藥學(xué)院
職稱：副教授
導(dǎo)師類型：
招生專業(yè)：藥學(xué)
研究領(lǐng)域：藥物設(shè)計、系統(tǒng)藥理學(xué)、生物信息學(xué)、醫(yī)學(xué)信息處理、



[通訊方式]
辦公電話：15640888728
電子郵件：837369303@qq.com

[個人簡述]
李燕，大連理工大學(xué)博士，副教授，碩士生導(dǎo)師，美國佛羅里達大學(xué)訪問學(xué)者，石河子大學(xué)綠洲學(xué)者，主要研究方向為系統(tǒng)藥理學(xué)、藥物設(shè)計、生物信息學(xué)及醫(yī)學(xué)信息處理。
藥物對治療疾病、造福人類健康的作用上功不可沒，然而目前市場上很多藥物（無論中藥、西藥）仍然存在副作用，或者很多重大類疾病，如艾滋病、帕金森病、腫瘤類、心血管疾病仍然存在無藥可醫(yī)，或療效不佳、副作用強等問題，因此中、西藥物的機理研究和藥物分子設(shè)計和開發(fā)仍然是具有重大意義的研究課題。特別是中藥作為一類典型的多化學(xué)成分和多作用靶點的藥物，在許多復(fù)雜性疾病的治療上雖具有顯著療效，但由于其化學(xué)成分、作用靶點和生物學(xué)通路的多樣性，導(dǎo)致迄今大多數(shù)中藥的作用機理仍不清楚，也難以借用目前的實驗方法整體解析中藥的活性成分、作用靶點和作用機理。因此，李燕所在課題組整合多種系統(tǒng)藥理學(xué)、生物信息學(xué)、醫(yī)學(xué)信息處理和藥物設(shè)計方法，最終對中、西藥作用體系都建立了一套較為成熟和優(yōu)化的系統(tǒng)藥理學(xué)研究平臺（包括從成分數(shù)據(jù)集構(gòu)建→由ADME藥代、藥動等參數(shù)進行的活性成分篩選→藥物作用靶點預(yù)測識別驗證→藥理學(xué)網(wǎng)絡(luò)構(gòu)建與分析→作用機制分析和詮釋→藥物設(shè)計和驗證流程），進而構(gòu)建了一個較完善的多尺度中、西藥作用分析體系。并借助于該體系從微觀（分子、網(wǎng)絡(luò)水平）到宏觀（整體、器官水平）多個水平探索和研究了多種藥物的作用機理。這一平臺不僅有助于探索和詮釋中藥的復(fù)雜作用機理，還為指導(dǎo)和推進復(fù)方改良和優(yōu)化、中西藥物設(shè)計和優(yōu)化、民族藥改造和優(yōu)化等中藥的現(xiàn)代化、國際化提供了具有獨特優(yōu)勢的研究工具。
目前，我們在該領(lǐng)域的研究已經(jīng)在各類國內(nèi)外學(xué)術(shù)期刊共發(fā)表科技論文154篇(含111篇英文、43篇中文)。其中被SCI收錄111篇，總影響因子達326.2。其中，以第一或通訊作者身份在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等國外期刊發(fā)表研究成果74篇, 總影響因子達153.5。并主編專著一部：《系統(tǒng)藥理學(xué)：原理、方法及應(yīng)用》，其目前已成為北京中醫(yī)藥大學(xué)研究生教材。在科研項目方面，主持了1項國家自然科學(xué)重點基金（溫陽益氣活血解毒法抗心肌纖維化的分子網(wǎng)絡(luò)調(diào)控機制研究），1項國家自然科學(xué)青年基金（多尺度細胞模擬理論和算法研究）、2項地市級、2項校極項目，參與承擔(dān)50多項項目。其中，對于“中醫(yī)證候物質(zhì)基礎(chǔ)與中藥功效分子網(wǎng)絡(luò)靶點生物系統(tǒng)學(xué)解析”的研究于2014年獲山東省自然科學(xué)二等獎。并先后獲得多項省、市自然科學(xué)學(xué)術(shù)成果獎。在教書育人方面迄今已先后獲得多次教學(xué)質(zhì)量優(yōu)良獎、優(yōu)秀班主任、優(yōu)秀指導(dǎo)老師獎，并培養(yǎng)了四名博士、十幾名碩士研究生。
在所研究領(lǐng)域除獲得兩項國家自然科學(xué)基金（含一項重點項目）支持外，還獲得了山東省部自然科學(xué)二等獎（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等各類國內(nèi)外各種期刊上發(fā)表科技論文154篇，其中SCI收錄論文111篇，總影響因子330.6。并作為主編出版專著一部，目前該專著已被國內(nèi)各大高校圖書館收錄，并被北京中醫(yī)藥大學(xué)采納為研究生教材。具體如下：
出版專著
專著: 《系統(tǒng)藥理學(xué)：原理、方法及應(yīng)用》，大連理工大學(xué)出版社，2016年，主編
獲獎情況
2014年 山東省自然科學(xué)二等獎 鄭秋生 王永華 孫喜靈 李燕（排名第四）
題目：中醫(yī)證候物質(zhì)基礎(chǔ)與中藥功效分子網(wǎng)絡(luò)靶點生物系統(tǒng)學(xué)解析
并獲得多項省、市自然科學(xué)學(xué)術(shù)成果獎（共6次二等、三等獎）、校教學(xué)質(zhì)量優(yōu)良獎（3次）、校優(yōu)秀畢業(yè)論文指導(dǎo)教師獎（4次）、優(yōu)秀班主任（2次）、校年度考核優(yōu)秀等榮譽稱號，在國際雜志上發(fā)表的一篇英文論文還獲得2013年國際風(fēng)險協(xié)會年度最佳論文獎。

[科研工作]
在課題方面，主持含國家自然科學(xué)基金等4項項目。主持地市級橫向項目2項，參與承擔(dān)50多項。以下僅列出主持項目：
1. 溫陽益氣活血解毒法抗心肌纖維化的分子網(wǎng)絡(luò)調(diào)控機制研究，國家自然科學(xué)基金（重點項目）；
2. 多尺度細胞模擬理論和算法研究，國家自然科學(xué)基金（青年項目）；
3. 腫瘤多藥耐藥P糖蛋白逆轉(zhuǎn)劑的計算機輔助研究；
4. 藥物吸收、分布、代謝、排泄、毒性計算機輔助研究；
5. 低溫甲醇洗可研方案；
6. 錫林郭勒蘇尼特堿業(yè)有限公司節(jié)能降耗技術(shù)改造方案
藥物設(shè)計；
系統(tǒng)藥理學(xué)；
生物信息學(xué)；
醫(yī)學(xué)信息處理
為Trends in Pharmacological Sciences、Medicinal Research Reviews等幾十家國外雜志擔(dān)任審稿專家
目前在系統(tǒng)藥理學(xué)、藥物設(shè)計等研究領(lǐng)域共發(fā)表科技論文154篇，包括111篇英文和43篇中文。其中SCI收錄論文111篇，總影響因子達330.6。
以下僅列出部分英文論文：
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): e0169363 (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:10.3109/14756366.2012.719505 (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, GSK1070916 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): e1000866. (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 大連理工大學(xué)，講師，碩士生導(dǎo)師。
2012.12——至今 大連理工大學(xué) 副教授；
2016.1月——至今 石河子大學(xué) 綠洲學(xué)者

[教育背景]
1993.9——1997.7 大連理工大學(xué) 化學(xué)工藝專業(yè) 學(xué)士學(xué)位；
2000.9——2003.7 大連理工大學(xué) 化學(xué)工藝專業(yè) 碩士學(xué)位；
2003.9——2006.7 大連理工大學(xué)（和中國科學(xué)院大連化學(xué)物理研究所聯(lián)合培養(yǎng)）化學(xué)工藝專業(yè) 博士學(xué)位
2015.8——2016.8月 美國佛羅里達大學(xué) 訪問學(xué)者 以上老師的信息來源于學(xué)校網(wǎng)站，如有更新或錯誤，請聯(lián)系我們進行更新或刪除，聯(lián)系方式

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