姓　名：廖晨钟

职　称：教授

职　务：

所属系：药物科学与工程系

邮　箱：czliao@hfut.edu.cn

电　话：182-5600-7962

个人学习工作简介
工作经历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
研究兴趣领域
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、计算机辅助药物设计
3、化学信息学
4、恶性肿瘤药物、神经退行性疾病药物、抗艾滋病药物的研发
社会兼职
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 Topicsin Medicinal Chemistry杂志的Guest Editor，主编过一期特刊《Current Progress in the Development of Metalloprotein Inhibitors》
个人业绩成果
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。
目前承担的科研项目
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：**，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：**，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
专著论文专利
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: 10.2174/6**8.
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 PotentNicotinamide 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 developmentof 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 ChemistryLetters,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 Activityof 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-activityrelationship study of bisphosphonates. Internet Electronic Journal of Molecular Design. 2004, 3, 622-650.
68、3D-QSAR of Sulfonamide Hydroxamic Acid HDACInhibitors. 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.