一、药物化学教研室概况

药物化学是药学类专业的主干学科之一。我校药物化学学科始建于2003年6月，同年成立药物化学教研室。主要承担“药物化学”、“药物设计学与智能药学”、“药学概论”、“医药生物信息学”和“医学科研方法概论”等本科生/研究生课程，以及创新药物的设计、合成、活性研究等工作。目前招收药物化学专业博士研究生、药物化学专业硕士研究生（学硕）、药学专业硕士研究生（专硕）和人工智能专业硕士研究生（专硕）。迄今已培养博士研究生11名，硕士研究生45名，其中多名学生获得辽宁省优秀毕业生等荣誉称号；目前在读博士研究生10名（其中留学生1名），在读硕士研究生38名；博士后出站10人，在站6人。

二、师资队伍

目前药物化学教研室教授1名（孟繁浩），副教授2名（王琳，张廷剑），讲师1名（孙琦）；另有师资博士后1名，项目博士后6名，硕士研究生合作导师2名。近年来已有3名青年教师晋升副高职称。欢迎药学相关专业或方向（药物化学、 药物设计学、药物信息学、计算药学等）的优秀博士加入药物化学教研室（青年师资、师资博士后）。

孟繁浩，男，博士，二级教授、博士/硕士研究生导师、药物化学学科负责人；国务院政府特殊津贴专家、辽宁省特聘教授；《中国药物化学杂志》、《中国药物警戒》、《高等药学教育研究》等杂志编委。主要从事药物设计和药物化学教学及研究工作，主编《药物化学》、《药物设计学》等高等医药院校统编教材16部，合著《新编中药成分学》1部。已发表学术论文180篇，发明专利35项，计算机软件著作权登记证书3项，新药证书10项。获得辽宁省科技进步一等奖/二等奖、辽宁省普通高等教育教学（研究生类）一等奖等多项成果。先后被评为辽宁省百千万人才工程百人层次、沈阳市领军人才、沈阳市优秀研究生导师、校优秀教师等。

办公地点：药学院楼236；电子邮箱：fhmeng@cmu.edu.cn

张廷剑，男，博士，副教授，硕士研究生导师；主要从事小分子抗痛风药物和抗肿瘤药物的设计合成及工艺研究。主持国家自然科学基金项目2项，辽宁省教育厅项目1项及中国医科大学青年英才项目1项。2022年入选中国医科大学青年骨干人才。在Eur J Med Chem, J Med Chem, Bioorg Chem等期刊上发表研究论文20余篇，获批发明专利10余项。副主编清华大学出版社《新编中药成分学》1部，副主编上海科学技术出版社《药物化学》教材1部。

办公地点：药学院楼238；电子邮箱：tjzhang@cmu.edu.cn

王琳，女，博士，副教授，硕士研究生导师；先后主持国家自然科学基金青年项目1项，省自然科学基金面上项目1项，主要研究方向为小分子化合物活性筛选、中药药理。近年来在J Ethnopharmacology、 Front oncol等期刊上发表学术论文10余篇。副主编上海科学技术出版社《药物化学》教材1部，参编科学出版社《药物化学》（案例版）教材1部。

办公地点：药学院楼238；电子邮箱：wanglin@cmu.edu.cn

孙琦，女，博士在读，讲师；主要从事天然产物的分离鉴定、结构改造及体内药代动力学等研究。参与国家自然科学基金项目1项，辽宁省科技厅重点研发项目1项。近年来在J Pharm Biomed Anal等期刊上发表学术论文10余篇。

办公地点：药学院楼238；电子邮箱：qsun@cmu.edu.cn

郝泷，男，师资博士后，讲师（助理研究员），2020-2022年于清华大学药学院生物学流动站做博士后研究；主要从事药物设计、药物合成、PROTAC、化学生物学等方面的研究，近年来在Bioorg Chem、J Carbohyd Chem等期刊上发表学术论文2篇。

办公地点：药学院楼238；电子邮箱：haoshuang1209@sina.com

梁经纬，男，博士，副教授，硕士研究生兼职合作导师；主要从事数据挖掘、分子模拟、药物设计等方面的研究。主持国家自然科学基金项目1项，辽宁省教育厅项目1项。在Marine Drugs, Bioorg Chem等期刊上发表研究论文20余篇。副主编清华大学出版社《新编中药成分学》1部。

电子邮箱：liangjw89@qq.com

三、 研究方向及近期部分论文

（一）基于靶点的抗肿瘤药物的设计、合成及活性研究

1. Xin-Yang Li†, Xin-Hua Qian†, Ju Zhu, Yu-Heng Li, Qi-Qi Lin, Shuai Li, Wen-Han Xue, Ling-Yan Jian, Fan-Hao Meng*. Synthesis and evaluation of novel HER-2 inhibitors to exert anti-breast cancer ability through epithelial-mesenchymal transition (EMT) pathway. Eur J Med Chem. 2022;237:114325.

2. Xin-yang Li, De-pu Wang, Shuai Li, Wen-han Xue, Xin-hua Qian, Kai-li Liu, Yu-heng Li, Qi-qi Lin, Gang Deng, Fan-hao Meng*, Ling-yan Jian*. Discovery of N-(1,3,4-thiadiazol-2-yl)benzamide derivatives containing a 6,7-methoxyquinoline structure as novel EGFR/HER-2 dual-target inhibitors against cancer growth and angiogenesis. Bioorganic Chemistry, 2022, 119: 105469

3. Kai-li Liu, Xin-yang Li, De-pu Wang, Wen-han Xue, Xin-hua Qian, Yu-heng Li, Qi-qi Lin, Shuai Li, Fan-hao Meng*. Novel Allosteric Inhibitors of Deoxyhypusine Synthase against Malignant Melanoma: Design, Synthesis, and Biological Evaluation. Journal of Medicinal Chemistry, 2021, 64(18): 13356-13372

4. Shuai Li, Xin-yang Li, Ting-jian Zhang, Ju Zhu, Kai-li Liu, De-pu Wang, Fan-hao Meng*. Novel 4,5-dihydrospiro[benzo[c]azepine-1,1'-cyclohexan] -3(2H)-one derivatives as PARP-1 inhibitors: Design, synthesis and biological evaluation. Bioorganic Chemistry, 2021, 111: 104840.

5. De-pu Wang†, Kai-li Liu†, Xin-yang Li, Guo-qing Lu, Wen-han Xue, Xin-hua Qian, Kamara Mohamed O, Fan-hao Meng*. Design, synthesis, and in vitro and in vivo anti-angiogenesis study of a novel vascular endothelial growth factor receptor-2 (VEGFR-2) inhibitor based on 1,2,3-triazole scaffold. European Journal of Medicinal Chemistry, 2021; 211: 113083.

6. Xin-yang Li, De-pu Wang, Guo-qing Lu, Kai-li Liu, Ting-jian Zhang, Shuai Li, Kamara Mohamed, Fanhao Meng*. Development of a novel thymidylate synthase (TS) inhibitor capable of up-regulating P53 expression and inhibit angiogenesis in NSCLC. Journal of Advanced Research, 2020, 26: 95-110

7. Xin-yang Li†, Shuai Li†, Ting-jian Zhang, Ju Zhu, Wen-han Xue, Xin-hua Qian, Fan-hao Meng*. Design, synthesis and biological evaluation of novel (E)-N-phenyl-4-(pyridine-acylhydrazone) benzamide derivatives as potential antitumor agents for the treatment of multiple myeloma (MM). Bioorganic Chemistry, 2020, 103: 104189

8. Shuai Li, Xin-yang Li, Ting-jian Zhang, Ju Zhu, Wen-han Xue, Xin-hua Qian, Fan-hao Meng*. Design, synthesis and biological evaluation of erythrina derivatives bearing a 1,2,3-triazole moiety as PARP-1 inhibitors. Bioorganic Chemistry, 2020, 96: 103575. (IF: 4.831)

9. Shuai Li, Xin-yang Li, Ting-jian Zhang, Mohamed Olounfeh Kamara, Jing-wei Liang, Ju Zhu, Fan-hao Meng*. Design, synthesis and biological evaluation of homoerythrina alkaloid derivatives bearing a triazole moiety as PARP-1 inhibitors and as potential antitumor drugs. Bioorganic Chemistry, 2020, 94:103385

10. Xin-yang Li, Ting-jian Zhang, Guo-qing Lu, Kamara Mohamed O, Jing-wei Liang, Fan-hao Meng*. Discovery of N-phenyl-(2,4-dihydroxypyrimidine-5- sulfonamido) phenylurea-based thymidylate synthase (TS) inhibitor as a novel multi-effects antitumor drug with minimal toxicity. Cell Death & Disease, 2019, 10: 532.

11. Guo-qing Lu#, Xin-yang Li#, Kamara Mohamed O, Depu Wang, Fan-hao Meng*. Design, synthesis and biological evaluation of novel uracil derivatives bearing 1, 2, 3-triazole moiety as thymidylate synthase (TS) inhibitors and as potential antitumor drugs. European Journal of Medicinal Chemistry, 2019, 171: 282-296.

12. Jing-wei Liang, Ming-yang Wang, Shan Wang, Xin-yang Li, Fan-hao Meng*. Fragment-based structural optimization of a natural product itampolin A as p38α inhibitor for lung cancer. Marine drugs, 2019, 17: 53.

13. Xin-yang Li, Jing-wei Liang, Kamara Mohamed O, Ting-jian Zhang, Guo-Qing Lu, Fan-hao Meng*. Design, synthesis and biological evaluation of N-phenyl-(2,4-dihydroxypyrimidine-5-sulfonamido) benzoyl hydrazide derivatives as thymidylate synthase (TS) inhibitors and as potential antitumor drugs. European Journal of Medicinal Chemistry, 2018, 154: 267-279.

14. Xin He, Xin-yang Li, Jing-wei Liang, Chong Cao, Shuai Li, Ting-jian Zhang, Fan-hao Meng*. Design, Synthesis and Anticancer Activities Evaluation of Novel 5H-dibenzo[b,e]azepine-6,11-dione Derivatives Containing 1,3,4-oxadiazole Units. Bioorganic & Medicinal Chemistry Letters, 2018, 28(5): 847-852.

15. Jing-wei Liang, Xin-yang Li, Su Yang, Xin He, Ming-yang Wang, Fan-hao Meng*. Design, synthesis and biological evaluation of uracil derivatives as novel VEGFR-2 inhibitors. Current Pharmaceutical Design, 2018, 24(6): 734-740.

（二）新型黄嘌呤氧化酶抑制剂的设计、合成及活性研究

1. Sen-sen Hu†, Ting-jian Zhang†, Zhao-ran Wang, En-yu Xu, Qiu-yin Wang, Xu Zhang, Shuai Guo, Gong-hui Ge, Jing Wang, Fan-hao Meng*. Design, synthesis and structure-activity relationship of N-phenyl aromatic amide derivatives as novel xanthine oxidase inhibitors. Bioorganic Chemistry, 2023; 133, 106403

2. Ting-jian Zhang†, Xu Zhang†, En-yu Xu, Zhao-ran Wang, Zhen-hao Zhang, Qiu-yin Wang, Lin Wang, Yan-qing Wen*, Fan-hao Meng* A possible covalent xanthine oxidase inhibitor TS10: inhibition mechanism, metabolites identification and PDPK assessment. Bioorganic Chemistry, 2022, 128: 106064

3. Ting-jian Zhang†, Zhen-hao Zhang†, Xu Zhang, Zhao-ran Wang, En-yu Xu, Shun Tu, Yi Zhang, Fan-hao Meng*. Design, synthesis and biological evaluation of N-(4-alkoxy-3-(1H-tetrazol-1-yl)phenyl) heterocyclic aromatic amide derivatives as xanthine oxidase inhibitors. Bioorganic Chemistry, 2022, 127: 105938.

4. Ting-Jian Zhang, Yi Zhang, Zhen-Hao Zhang, Zhao-Ran Wang, Xu Zhang, Sen-Sen Hu, Peng-Fei Lu, Shuai Guo, Fan-hao Meng*. Discovery of 4-(phenoxymethyl)-1H-1,2,3-triazole derivatives as novel xanthine oxidase inhibitors. Bioorg Med Chem Lett. 2022; 60: 128582.

5. Jiaxing Zhao, Qing Mao, Fengwei Lin, Bing Zhang, Ming Sun, Tingjian Zhang*, Shaojie Wang*. Intramolecular hydrogen bond interruption and scaffold hopping of TMC-5 led to 2-(4-alkoxy-3-cyanophenyl)pyrimidine-4/5-carboxylic acids and 6-(4-alkoxy-3-cyanophenyl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-ones as potent pyrimidine-based xanthine oxidase inhibitors. Eur J Med Chem. 2022; 229: 114086.

6. Ting-jian Zhang†, Shun Tu†, Xu Zhang, Qiu-yin Wang, Sen-sen Hu, Yi Zhang, Zhen-hao Zhang, Zhao-ran Wang, Fan-hao Meng*. Amide-based xanthine oxidase inhibitors bearing an N-(1-alkyl-3-cyano-1H-indol-5-yl) moiety: design, synthesis and structure-activity relationship investigation. Bioorganic Chemistry, 2021, 117:105417.

7. Shun Tu†, Ting-jian Zhang†, Yi Zhang, Xu Zhang, Zhen-hao Zhang, Fan-hao Meng*. N-(3-cyano-1H-indol-5-yl)isonicotinamide and N-(3-cyano-1H-indol-5-yl)-1H-benzo[d]imidazole-5-carboxamide derivatives:novel amide-based xanthine oxidase inhibitors. Bioorganic Chemistry, 2021, 117: 105417

8. Song-ye Li†, Ting-jian Zhang†, Qing-xia Wu, Mohamed O K, Yi Zhang, Fan-hao Meng*. Synthesis and biological evaluation of 5-benzyl-3-pyridyl-1H-1,2,4-triazole derivatives as xanthine oxidase inhibitors. Medicinal Chemistry, 2020; 16(1):119-127

12. Ting-jian Zhang, Yi Zhang, Shun Tu, Yu-hang Wu, Zhen-hao Zhang, Fan-hao Meng*. Design, synthesis and biological evaluation of N-(3-(1H-tetrazol-1-yl)phenyl)isonicotinamide derivatives as novel xanthine oxidase inhibitors. European Journal of Medicinal Chemistry, 2019, 183:111717.

13. Tingjian Zhang, Yunying Lv, Yu Lei, Dan Liu, Yao Feng, Jiaxing Zhao, Shaolei Chen, Fanhao Meng*, Shaojie Wang*. Design, synthesis and biological evaluation of 1-hydroxy-2-phenyl-4-pyridyl-1H-imidazole derivatives as xanthine oxidase inhibitors. European Journal of Medicinal Chemistry, 2018, 146: 668-677.

14. Ting-jian Zhang, Song-ye Li, Qing-xia Wu, Fan-hao Meng*. Design, synthesis and biological evaluation of 5-(4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl) benzonitrile derivatives as xanthine oxidase inhibitors. Chemical Biology & Drug Design, 2018, 91(2): 526-533.

15. Ting-jian Zhang+, Song-ye Li+, Wei-yan Yuan, Yi Zhang, Fan-hao Meng*. Design, synthesis and molecular docking studies of N-(9,10-anthraquinone-2-carbonyl) amino acid derivatives as xanthine oxidase inhibitors. Chem Biol Drug Des, 2018, 91(4): 893-901.

（三）探针构建、分子模拟及构效关系的研究

1. Zhao-ran Wang†, Ting-jian Zhang†, Qiu-yin Wang, En-yu Xu, Xu Zhang, Zhen-hao Zhang, Peng-fei Lu, Hai-yang Zhao, Lin Wang*, Fan-haoMenga*. (E)-2-styrylanthracene-9,10-dione derivatives as novel fluorescent probes: synthesis, photophysical properties and application in mitochondria imaging. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2022,286: 121988

2. Jing-wei Liang†, Wan-qiu Li †, Qing-yang Nian, Si-hua Xie, Lulu Yang and Fan-hao Meng*. Synthesis and identification of a novel skeleton of N-(pyridin-3-yl) proline as a selective CDK4/6 inhibitor with anti-breast cancer activities. Bioorganic Chemistry, 2022, 119: 105547(5.275)

3. Jiaxing Zhao, Bing Zhang, Qing Mao, Kunqi Ping, Peng Zhang, Fengwei Lin, Dan Liu, Yao Feng, Ming Sun, Yan Zhang, Qiu Hua Li, Tingjian Zhang*, Yanhua Mou*, Shaojie Wang*. Discovery of a Colon-Targeted Azo Prodrug of Tofacitinib through the Establishment of Colon-Specific Delivery Systems Constructed by 5-ASA-PABA-MAC and 5-ASA-PABA-Diamine for the Treatment of Ulcerative Colitis. J Med Chem, 2022 ;65(6): 4926-4948.

4. Xu Zhang†, Ting-jian Zhang†, Zhao-ran Wang, Qiu-yin Wang, Peng-fei Lu, Hai-yang Zhao, Lin Wang, Fan-hao Meng*. (E)-2-styrylanthracene-9,10-dione: a new type of fluorescent probe core and its application in specific mitochondria imaging. Dyes and Pigments, 2021, 196: 109797

5. Yi Zhang, Ting-jian Zhang, Shun Tu, Zhen-hao Zhang, Fan-hao Meng*. Identification of Novel Src Inhibitors: Pharmacophore-Based Virtual Screening, Molecular Docking and Molecular Dynamics Simulations. Molecules, 2020, 25, 4094

6. Jing-wei Liang†, Shi-long Li†, Shan Wang, Wan-qiu Li, Fan-hao Meng*. Synthesis and biological evaluation of novel (E)-N'-benzylidene hydrazides as novel c-Met inhibitors through fragment based virtual screening. Journal of Enzyme Inhibition and Medicinal Chemistry, 2020, 35: 468-477.

7. Jing-Wei Liang, Ming-Yang Wang, Shan Wang, Shi-Long Li, Wan-Qiu Li and Fan-hao Meng*. Identification of novel CDK2 inhibitors by a multistage virtual screening method based on SVM, pharmacophore and docking model. Journal of Enzyme Inhibition and Medicinal Chemistry, 2020, 35: 235–244.

8. Jing-wei Liang, Ming-yang Wang, Kamara Mohamed Olounfeh, Nan Zhao, Shan Wang, Fan-hao Meng*. Network pharmacology-based identifcation of potential targets of the flower of Trollius chinensis Bunge acting on anti-inflammatory effect. Scientific Reports, 2019, 9: 8109.

9. Jing-wei Liang†, Shan Wang†, Ming-yang Wang, Shi-long Li, Wan-qiu Li, Fan-hao Meng*. Identification of novel PI3Kδ selective inhibitors by a SVM based multistage virtual screening and molecular dynamics simulations. International Journal of Molecular Sciences, 2019, 20: 6000.

10. Ming-yang Wang, Jing-wei Liang, Xin-yang Li, Kamara Mohamed Olounfeh，Shi-long Li, Shan wang, Fan-hao Meng*. Study of Imidazolium Salt Derivatives as PIK3CA Inhibitors Using a Comprehensive in Silico Method. International Journal of Molecular Sciences, Int. J. Mol. Sci. 2018, 19: 896.

11. Ming-yang Wang+, Jing-wei Liang+, Kamara Mohamed Olounfeh, Qi Sun, Nan Zhao, Fan-hao Meng *. A comprehensive in silicon method to study the QSTR of the Aconitine alkaloids for designing the novel drugs. Molecules, 2018, 23(9): 2385.

（四）天然产物中活性成分的发现及深入研究

1. Yi Zhang†, Ting-jian Zhang†, Xin-yang Li, Jing-wei Liang, Shun Tu, Hai-li Xu, Wen-han Xue, Xin-hua Qian, Zhen-hao Zhang, Xu Zhang, Fan-hao Meng*. 2-((1-Phenyl-1H-1,2,3-triazol-4-yl)methyl)-2-azabicyclo[3.2.1]octan-3-one derivatives: Simplification and modification of aconitine scaffold for the discovery of novel anticancer agents. European Journal of Medicinal Chemistry, 2021; 210: 112988.

2. Lin Wang, Hai-li Xu, Jing-wei Liang, Ying-ying Ding and Fan-hao Meng*. An Integrated Network, RNA sequencing and Experiment Pharmacology Approach Reveals the Active Component, Potential Target and Mechanism of Gelsemium elegans in the Treatment of Colorectal Cancer, Frontiers in Oncology, 2020; 10: 616628

3. Nan Zhao, Hao-ran Tan, Qi-li Chen, Sun Qi, Lin Wang, Yang Song, Kamara Mohamed Olounfeh, Fan-hao Meng*. Development and Validation of a Sensitive UHPLC-MS/MS Method for the Measurement of Gardneramine in Rat Plasma and Tissues and its Application to Pharmacokinetics and Tissue Distribution Study. Molecules, 2019, 24: 3953.

4. Nan Zhao, Qi Sun, Kamara Mohamed Olounfeh, Qi-li Chen, Jing-wei Liang, Shan Wang, Lin Wang, Yang Song, Fan-hao Meng*. A validated UHPLC-MS/MS method for measurement of pharmacokinetics and tissue distribution of trolline in rat. Journal of Pharmaceutical and Biomedical Analysis, 2019, 169: 208–214.

5. Yan-qing Wen, Li-ying Gong, Lin Wang, Nan Zhao, Qi Sun, Mohamed Olounfeh Kamara, Hai-ying Ma*, Fan-hao Meng*. Comparative pharmacokinetics study of leonurine and stachydrine in normal rats and rats with cold-stagnation and blood-stasis primary dysmenorrhoea after the administration of leonurus japonicus houtt electuary. Journal of Separation Science, 2019, 42(9): 1725-1732

6. Lin Wang, Qi Sun, Nan Zhao, Yan-qing Wen, Yang Song, Fan-hao Meng *. Ultra-Liquid Chromatography Tandem Mass Spectrometry (UPLC-MS/MS)-Based Pharmacokinetics and Tissue Distribution Study of Koumine and the Detoxification Mechanism of Glycyrrhiza uralensis Fisch on Gelsemium elegans Benth. Molecules, 2018, 23(7): pii: E1693.

7. Lin Wang, Yanqing Wen, Fanhao Meng*. Simultaneous determination of gelsemine and koumine in rat plasma by UPLC-MS/MS and application to pharmacokinetic study after oral administration of Gelsemium elegans Benth extract. Biomedical Chromatography, 2018, 32(6): e4201.

8. Nan Zhao, Qi Sun, Yang Song, Lin Wang, Fan-hao Meng*. Comparative pharmacokinetics study of orientin in rat plasma by UHPLC-MS/MS after intravenous administration of single orientin and Trollius chinensis Bunge extract. Biomedical Chromatography, 2018, 32(4): e4142.

四、奖励

1. 辽宁省自然科学学术成果奖，二等奖，2023年

2. 辽宁省科技进步奖，一等奖，2018年

3. 辽宁省普通高等教育教学成果奖（研究生类），一等奖，2018年

4. 辽宁省科技进步奖，二等奖，2016年

5. 沈阳市科技进步奖，二等奖，2016年

6. 广西药学会中恒科学技术奖，一等奖，2016年

五、著作

1. 孟繁浩主编，王琳参编：《药物化学》(案例版，第3版)，全国高等医药院校案例版规划教材. 科学出版社，2023年

2. 孟繁浩主编，张廷剑参编：《药物设计学学习指导》(第3版) ，普通高等教育“十四五”规划教材. 人民卫生出版社，2023年

3. 孟繁浩副主编：《药物设计学》(第4版) ，普通高等教育“十四五”规划教材. 人民卫生出版社，2023年

4. 孟繁浩主编，孙琦参编：《药物化学》(第2版)，普通高等教育“十四五”规划教材.中国医药科技出版社出版社，2021年

5. 孟繁浩主编，王琳参编：《药物化学》(案例版，第2版)，全国高等医药院校案例版规划教材.科学出版社，2016年

6. 孟繁浩，张廷剑参编：《药物化学》(第2版)，普通高等教育“十三五”规划教材. 清华大学出版社，2016年

7. 孟繁浩主编，王琳、张廷剑、孙琦副主编：《药物化学》(第2版)，成人高等教育药学专业教材.上海科学技术出版社，2016年

8. 孟繁浩副主编. 《药物设计学》，普通高等教育“十三五”规划教材.人民卫生出版社，2016年

9. 孟繁浩主编，张廷剑、梁经纬副主编：《新编中药成分学》（专著），清华大学出版社，2018年