²2012/10-至今，合肥工业大学，生物与医学工程学院，教授

²2010/10-2012/9，University of Michigan，Medical School，Research Scientist

²2005/10-2010/9，National Institutes of Health，National Cancer Institute，博士后

²2004/7-2005/8，深圳微芯生物科技有限责任公司，生化信息学部，主任

²1998/7-2001/8，北京工业大学出版社，图书编辑

教育经历

²2001/9–2004/7，中国科学院，博士

²1995/9–1998/6，北京工业大学，硕士

²1991/9–1995/7，青岛科技大学，学士

药物设计、药物合成、新药研发、化学信息学

1、药物设计与合成

²安徽省药学会第九届理事会理事

²安徽省药学会药物化学专业委员会副主任委员

²美国国家健康研究院癌症研究所（National Institutes of Health, National Cancer Institute）客座研究员（Guest Researcher）

²美国化学会（American Chemical Society）会员

²美国癌症研究协会（American Association for Cancer Research）会员

²多家国际知名杂志，如ACS Medicinal Chemistry Letters, Journal of Medicinal Chemistry, Journal of Chemical Information and Modeling, Future Medicinal Chemistry, Bioorganic & Medicinal Chemistry Letters, Bioorganic & Medicinal Chemistry, Antiviral Research, Journal of Chemical Theory and Computation, Current Topics in Medicinal Chemistry, Current Medicinal Chemistry, PLoS Computational Biology, Molecular Informatics, Letters in Drug Design & Discovery, Journal of Biophysics and Structural Biology等的特约审稿人

²香港特区政府总部食物及卫生局科研基金的特约评审人

²担任Current Topics in Medicinal Chemistry杂志的Guest Editor，主编过一期特刊《Current Progress in the Development of Metalloprotein Inhibitors》

²学术业绩：在Drug Discovery Today、Journal of Medicinal Chemistry、ACS Medicinal Chemistry Letters、Journal of Chemical Information and Modeling等药学、药物化学主流国际期刊发表高质量论文70余篇；参与3部国际学术专著的编写工作；申请国际国内专利10余项；为多个国际知名期刊的审稿人。

²教育业绩：成功为合肥工业大学申办药学本科专业及药学专业硕士点；参与教材《药物设计学》的编写；指导的国家级大学生创新训练项目获得优秀成绩；指导的本科毕业论文多次获得优秀成绩；被聘为合肥工业大学百名优秀创新创业导师；担任本科生《专业导论》、《药物化学》、《药物设计学》及研究生《计算机辅助药物设计》、《高等药物化学》等多门课程的教学工作。

²产业业绩：在深圳微芯生物科技有限责任公司担任生化信息学部主任期间，设计的抗2型糖尿病药物西格列他钠作为国家1.1类新药已进入临床III期研究，参与设计的抗恶性肿瘤药物西达本胺作为国家1.1类新药已获国家CFDA批准，用于治疗复发或难治性外周T细胞淋巴瘤。

²《共价/非共价Polo-like Kinase 2抑制剂的设计、合成及其抗帕金森氏症的机理研究》，国家自然科学基金面上项目，项目批准号：21672050，2017/01 – 2020/12，65万元，在研，主持

²《选择性识别端粒蛋白p65的苯并吡喃新先导：优化设计合成及作用机制》，国家自然科学基金面上项目，项目批准号：21572003，2016/01 – 2019/12，65万元，在研，参加

²《基于结构的髓样细胞白血病-1抑制剂设计、结构优化及抗肿瘤活性研究》，合肥工业大学春华计划（中央高校基本科研业务费专项资金资助），编号：2013HGCH0015，2013/05 – 2014/12，30万元，主持

²合肥工业大学人才引进基金

发表的期刊论文

1、Developing Polo-Like Kinase 1 Inhibitors. Future Medicinal Chemistry, 2020, 12, 869-871.（通讯作者）

2、Design, synthesis and anticancer activities of novel dual poly(ADP-ribose) polymerase-1/histone deacetylase-1 inhibitors. Bioorganic & Medicinal Chemistry Letters, 2020, 30, 127036.（通讯作者）

3、Discovery and development of plasma kallikrein inhibitors for multiple diseases. European Journal of Medicinal Chemistry, 2020,190, 112137.（通讯作者）

4、Identification of DOT1L inhibitors by structure-based virtual screening adapted from a nucleoside-focused library. European Journal of Medicinal Chemistry, 2020,189, 112023.

5、Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins. Journal of Medicinal Chemistry, 2020,63, 2489-2510.

6、LongShengZhi Capsule Inhibits Doxorubicin-Induced Heart Failure by Anti-Oxidative Stress. Biomedicine & Pharmacother, 2020, 123, 109803.

7、Discovery of Class I Histone Deacetylase Inhibitors Based on Romidpesin With Promising Selectivity for Cancer Cells. Future Medicinal Chemistry, 2020, 12, 311-323.

8、Structure-based Design and SAR Development of Novel Selective Polo-Like Kinase 1 Inhibitors Having the Tetrahydropteridin Scaffold. European Journal of Medicinal Chemistry, 2019, 184, 111769.（通讯作者）

9、Developments in Inhibiting Platelet Aggregation Based on Different Design Strategies. Future Medicinal Chemistry, 2019, 11, 1757-1775.（通讯作者）

10、Discovery and Development of Cyclin-Dependent Kinase 8 Inhibitors. Current Medicinal Chemistry, 2019, DOI: 10.2174/0929867326666190402110528.

11、Design, synthesis and biological evaluation of novel human monoamine oxidase B inhibitors based on a fragment in an X-ray crystal structure. Bioorganic & Medicinal Chemistry Letters, 2019, 29, 1012-1018.（通讯作者）

12、Discovery of novel 2,3-dihydro-1H-inden-1-amine derivatives as selective monoamine oxidase B inhibitors. Bioorganic & Medicinal Chemistry Letters, 2019, 29, 1090-1093.（通讯作者）

13、Discovery of Mcl-1 inhibitors from integrated high throughput and virtual screening. Scientific Reports, 2018, 8, 10210.（并列第一作者）

14、The selectivity and bioavailability improvement of novel oral anticoagulants: An overview. European Journal of Medicinal Chemistry, 2018,146, 299-317.（通讯作者）

15、Design, Synthesis and Bioevalucation of Novel 2,3-Dihydro-1H-inden-1-amine Derivatives as Potent and Selective Human Monoamine Oxidase B Inhibitors Based on Rasagiline. European Journal of Medicinal Chemistry, 2018,145, 588-593.（通讯作者）

16、Design, synthesis, and biological evaluation of novel highly selective polo-like kinase 2 inhibitors based on the tetrahydropteridin chemical scaffold. European Journal of Medicinal Chemistry, 2018,143, 724-731.（通讯作者）

17、甲氨蝶呤缓释植入剂延迟小鼠肉瘤复发的研究. 中国新药杂志, 2017, 26, 2828-3834.（通讯作者）

18、Progress in the Discovery of Macrocyclic Histone Deacetylase Inhibitors for the Treatment of Cancer. Current Medicinal Chemistry,2017, 24, 4166-4179.（通讯作者）

19、nhibition of Pax2 Transcription Activation with a Small Molecule that Targets the DNA Binding Domain. ACS Chemical Biology. 2017, 12, 724-734.

20、Structure-Based Design of Potent Nicotinamide Phosphoribosyltransferase Inhibitors with Promising in Vitro and in Vivo Antitumor Activities. Journal of Medicinal Chemistry, 2016, 59, 5766-5779.（并列第一作者）

21、From monoclonal antibodies to small molecules: the development of inhibitors targeting the PD-1/PD-L1 pathway. Drug Discovery Today, 2016, 21, 1027-1036.（通讯作者）

22、Novel tricyclic pyrazolo[1,5-d][1,4]benzoxazepin-5(6H)-one: Design, synthesis, model and use as hMAO-B inhibitors. Bioorganic & Medicinal Chemistry,2016, 24, 1741-1748.（通讯作者）

23、Identification of human telomerase inhibitors having the core of N-acyl-4,5-dihydropyrazole with anticancer effects. Bioorganic & Medicinal Chemistry Letters,2016, 26, 1508-1511.（通讯作者）

24、Chemical Structure Similarity Search for Ligand-Based Virtual Screening: Methods and Computational Resources. Current Drug Targets. 2016, 17, 1580 - 1585.

25、Perspectives in Medicinal Chemistry: Metalloprotein Inhibitors: What Have We Made and What is the Next Step? Current Topics in Medicinal Chemistry. 2016, 16, 467-469.（通讯作者）

26、Discovery of Novel Class I Histone Deacetylase Inhibitors with Promising in vitro and in vivo Antitumor Activities. Journal of Medicinal Chemistry, 2015, 58, 7672-7680.

27、Metalloprotein Inhibitors for the Treatment of Human Diseases. Current Topics in Medicinal Chemistry, 2016, 16, 384-396.（通讯作者）

28、Editorial: Current Progress in the Development of Metalloprotein Inhibitors. Current Topics in Medicinal Chemistry, 2016, 16, 383.（通讯作者）

29、Novel HIV-1 Integrase Inhibitor Development by Virtual Screening Based on QSAR Models. Current Topics in Medicinal Chemistry, 2016, 16, 441-448.

30、Ma N, Luo Y, Wang Y, Liao C, Ye WC, Jiang S. Selective histone deacetylase inhibitors with anticancer activity. Current Topics in Medicinal Chemistry, 2016, 16, 415-426.

31、Novel 2H-chromen-2-one Derivatives of Resveratrol: Design, Synthesis, Modeling and Use as Human Monoamine Oxidase Inhibitors. European Journal of Medicinal Chemistry, 2015,103, 185-190.（通讯作者）

32、Synthesis, Characterization and Antitumor Activity of Novel Ferrocene-Based Amides Bearing Pyrazolyl Moiety. Journal of Inorganic and Organometallic Polymers and Materials, 2015, 25, 419-426.

33、Discovery and Pharmacophore Studies of Novel Pyrazole-Based Anti-Melanoma Agents. CHEMISTRY & BIODIVERSITY, 2015, 12, 116-132.（通讯作者）

34、药物分子设计中的大数据问题. 科学通报, 2015, 60, 558-565.

35、Design, synthesis, and biological evaluation of 1, 3-disubstituted-pyrazole derivatives as new class I and IIb histone deacetylase inhibitors. European Journal of Medicinal Chemistry, 2014, 86, 639-652.（并列第一作者）

36、3-Substituted-N-(4-hydroxynaphthalen-1-yl)arylsulfonamides as a novel class of selective Mcl-1 inhibitors: structure-based design, synthesis, SAR, and biological evaluation.Journal of Medicinal Chemistry, 2014. 57, 4111-4133.

37、A novel small-molecule inhibitor of mcl-1 blocks pancreatic cancer growth in vitro and in vivo. Molecular Cancer Therapeutics, 2014, 13, 565-575.（并列第一作者）

38、Diversity evolution and jump of Polo-like kinase 1 inhibitors. Science China Chemistry, 2013, 56, 1392-1401.（通讯作者）

39、Biological evaluation of 2-methylpyrimidine derivatives as active pan Bcr-Abl inhibitors. Science China Chemistry, 2014, 57, 823-832.

40、Targeting recruitment of Disruptor Of Telomeric silencing 1-Like (DOT1L): Characterizing the interactions between DOT1L and MLL-fusion proteins. Journal of Biological Chemistry, 2013, 288, 30585-30596.

41、PDB Ligand Conformational Energies Calculated Quantum-Mechanically. Journal of Chemical Information and Modeling, 2012, 52, 739-756.

42、Inhibitors of the anti-apoptotic Bcl-2 proteins: a patent review. Expert Opinion on Therapeutic Patents, 2012,22, 37-55.

43、Software and Resources for Computational Medicinal Chemistry. Future Medicinal Chemistry, 2011, 3, 1123-1140.（第一作者，通讯作者）

44、Discovery of a Novel Hybrid from Finasteride and Epristeride as 5α-reductase Inhibitor. Bioorganic & Medicinal Chemistry Letters, 2011, 21, 475-478.（通讯作者）

45、Probing Binding Modes of Small Molecule Inhibitors to the Polo-Box Domain of Human Polo-like Kinase 1. ACS Medicinal Chemistry Letters, 2010, 1, 110-114.（第一作者）

46、Computer Tools in the Discovery of HIV-1 Integrase Inhibitors. Future Medicinal Chemistry, 2010, 2, 1123-1140.（第一作者）

47、Authentic HIV-1 Integrase Inhibitors. Future Medicinal Chemistry, 2010, 2, 1107-1122.（第一作者）

48、Total Synthesis and Biological Evaluation of Largazole and Derivatives with Promising Selectivity for Cancers Cells. Organic Letters, 2010, 12, 1368-1371.

49、Tautomerism and Magnesium Chelation of HIV-1 Integrase Inhibitors: A Theoretical Study. ChemMedChem, 2010, 5, 1053-1066.（第一作者）

50、Polo-box domain: A Versatile Mediator of Polo-like Kinase Function. Cellular and Molecular Life Sciences, 2010, 67, 1957-1970.

51、Comparison of Nine Programs Predicting pKa Values of Pharmaceutical Substances. Journal of Chemical Information and Modeling, 2009,49,2801–2812.（第一作者）

52、Computer-assisted search and optimization of new human immunodeficiency virus integrase inhibitors. Biomeditsinskaya Khimiya (Biomedical Chemistry), 2009, 55, 544-557.

53、Structural and functional analyses of a minimal phosphopeptide targeting the polo-box domain of polo-like kinase 1. Nature Structural & Molecular Biology, 2009, 16, 876-883.

54、Discovery of thioether-bridged cyclic pentapeptides binding to Grb2-SH2 domain with high affinity. Bioorganic & Medicinal Chemistry Letters, 2009, 19, 2693-2698.

55、Synthesis and conformational analysis of locked carbocyclic analogues of 1,3-diazepinone riboside, a high-affinity cytidine deaminase inhibitor. Journal of Organic Chemistry, 2009, 74, 6212-6223.

56、The Nucleoside Analog D-carba T Blocks HIV-1 Reverse Transcription. Journal of Medicinal Chemistry, 2009, 52, 5356-5364.

57、D-(+)-iso-Methanocarbathymidine, a high affinity substrate for herpes simplex virus 1 thymidine kinase. ChemMedChem, 2008, 3, 1129-1134.

58、Virtual screening application of a model of full-length HIV-1 integrase complexed with viral DNA. Bioorganic & Medicinal Chemistry Letters. 2007, 17, 5361-5365.（第一作者）

59、Sculpting the bicyclo[3.1.0]hexane template of carbocyclic nucleosides to improve recognition by herpes thymidine kinase. Journal of the American Chemical Society, 2007, 129, 6216-6222.

60、Biotinylated biphenyl ketone-containing 2,4-dioxobutanoic acids designed as HIV-1 integrase photoaffinity ligands. Bioorganic & Medicinal Chemistry, 2006, 14, 7816-7825.

61、A new retinoid-like compound that activates peroxisome proliferator-activated receptors and lowers blood glucose in diabetic mice. Biological & Pharmaceutical Bulletin, 2005, 28, 1192-1196.

62、Construction of a virtual combinatorial library using SMILES strings to discover potential structure-diverse PPAR modulators. European Journal of Medicinal Chemistry, 2005, 40, 632-640.（第一作者，通讯作者）

63、Design, synthesis and evaluation of novel noncyclic 1,3-dicarbonyl compounds as PPARα selective activators. Bioorganic & Medicinal Chemistry Letters. 2004, 14, 3507-3511.（并列第一作者）

64、Eigen value analysis of peroxisome proliferator-activated receptor γ agonists. Journal of Chemical Information and Computer Sciences. 2004, 44, 230-238.（第一作者）

65、3D QSAR studies on peroxisome proliferator-activated receptor γ agonists using CoMFA and CoMSIA. Journal of Molecular Modeling. 2004, 10, 165-177.（第一作者）

66、Quantitative structure-activity relationship study of histone deacetylase inhibitors. Current Medicinal Chemistry Anti-Cancer Agents. 2004, 4, 273-299.

67、Quantitative structure-activity relationship study of bisphosphonates. Internet Electronic Journal of Molecular Design. 2004, 3, 622-650.

68、3D-QSAR of Sulfonamide Hydroxamic Acid HDAC Inhibitors. Acta Phys. – Chim. Sin. (Wuli Huaxue Xuebao).2005, 21, 333-337.

69、Docking study of HDAC: implication for benzamide inhibitors binding mode. Acta Phys. – Chim. Sin. (Wuli Huaxue Xuebao). 2004, 20, 569-572.

70、一种用SMILES码构建虚拟组合化学库的新方法. 计算机与应用化学2005, 22, 247-252.（第一作者）

71、新型胰岛素增敏剂西格列羧的合成. 中国新药杂志2004, 13, 718-720.

72、新型抗肿瘤组蛋白去乙酰化酶抑制剂西达本胺的合成. 中国新药杂志2004, 13, 536-538.

73、生化信息学在药物创新过程中的重要作用. 中国新药杂志2004, 13, 385-388.

74、以PPAR为靶标的抗2型糖尿病药物研发策略. 中国新药杂志2003, 12, 980-983.（第一作者）

75、基于甲骨文数据库管理系统的化学结构检索数据库的设计与实现. 计算机与应用化学2003, 20, 556-562.

参编学术专著及教材

1、《药物设计学》，中国医药科技出版社，2016.

2、Molecular docking and structure-based virtual screening. In “In Silico Drug Discovery and Design Techniques”. (ISBN: 978-1-909453-02-9). Invited book chapter, Future Science Group, 2013, 7-22.

3、HIV-1 integrase-DNA models. In “HIV-1 Integrase: Mechanism of Action and Inhibitor Design”. Invited book chapter, John Wiley & Sons, Inc. 2011, 429-455.

4、An integrated biochemoinformatics system for drug discovery: managing and mining chemical structure information, biological activity fingerprints, and gene expression profiling patterns. In “Frontiers of Biochip Technologies”, Xing WL and Cheng J (Editors), Springer US, Invited book chapter, 2006, 191-206.