1、基于结构或受体的药物分子设计、合成与生物活性研究
2、新药开发及合成工艺研究

1. Yanan Wu,# Hongyi Zhao,# Bin Wang, Xi Chen, Bo Jin, Yixuan Zheng, Chen Ma, Li Sheng, Yu Lu,* Haihong Huang,* Dongfeng Zhang*. Optimization of pyrrole-2-carboxamide to develop a potent antituberculosis agent with improved physicochemical property and druggability. Bioorganic Chemistry, 2025, 165, 109016
2. Jiahao Zhuang,# Ya Liu,# Dandan Wang, Ruian Li, Dongfeng Zhang,* and Bin Liu*. A Dual-Functional Prodrug for Imaging and Eradication of Drug-Resistant Gram-Negative Bacteria. ACS Nano, 2025, 19, 31507-31515
3. Haijia Lu,# Xiaowan Han,# Di Qin,# Li Sheng, Chen Du, Bin Wang, Hongyi Zhao, Yu Lu, Yishuang Liu, Hai-Yu Hu,* Ya Liu,* and Dongfeng Zhang*. Tricyclic Benzo[1,3]oxazinyloxazolidinones as Potent Antibacterial Agents against Drug-Resistant Pathogens. Journal of Medicinal Chemistry, 2024, 67, 16088-16106
4. Wei Ding,# Liting Yan,# Li Sheng, Shuting Chen, Ying Li, Shihao Cheng, Lijun Luo, Haihong Huang,*Huanjie Shao,* and Dongfeng Zhang*. Identification of Piperazinyl−Difluoro-indene Derivatives Containing Pyridyl Groups as Potent FGFR Inhibitors against FGFR Mutant Tumor: Design, Synthesis, and Biological Evaluation. Journal of Medicinal Chemistry, 2024, 67, 2941-2962
5. Huahao Wang,# Liran Lei,# Hao Guo, Kejia Xu, Quan Liu, Hui Cao, Jinping Hu, Shuainan Liu,* Dongfeng Zhang*. Discovery of novel fructose-1,6-bisphosphatase inhibitors bearing benzimidazole scaffold using a dual-ligand molecular docking model. European Journal of Medicinal Chemistry, 2024, 279, 116888
6. Shihao Cheng,# Yi Zou,# Xi Chen, Jiahao Chen, Bin Wang, Jinying Tian, Fei Ye, Yu Lu, Haihong Huang*, Yongjun Lu*, Dongfeng Zhang*. Design, synthesis and biological evaluation of 3-substituted-2-thioxothiazolidin-4-one (rhodanine) derivatives as antitubercular agents against Mycobacterium tuberculosis protein tyrosine phosphatase B. European Journal of Medicinal Chemistry, 2023, 258, 115571.
7. Hao Guo, Huahao Wang, Hongyi Zhao and Dongfeng Zhang*. Visible light-promoted synthesis of 4,6a-dihydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-diones via [3+2] cycloaddition reaction of 2H-azirines with maleimides. New Journal of Chemistry, 2023, 47, 5634-5638.
8. Hongyi Zhao,# Yongxin Gao,# Wei Li,# Li Sheng,# Keli Cui, Bin Wang, Lei Fu, Meng Gao, Ziyun Lin, Xiaowen Zou, Mary Jackson, Haihong Huang,* Yu Lu,* and Dongfeng Zhang*. Design, Synthesis, and Biological Evaluation of Pyrrole-2-carboxamide Derivatives as Mycobacterial Membrane Protein Large 3 Inhibitors for Treating Drug-Resistant Tuberculosis. Journal of Medicinal Chemistry, 2022, 65(15), 10534-10553.
9. Shihao Cheng,# Qinglin Wang,# Xi Chen, Jiahao Chen, Bin Wang, Dongni Chen, Dong Shen, Jinying Tian, Fei Ye, Yu Lu, Haihong Huang*, Yongjun Lu*, Dongfeng Zhang*. Discovery of biphenyls bearing thiobarbiturate fragment by structure-based strategy as Mycobacterium tuberculosis protein tyrosine phosphatase B inhibitors. Bioorganic & Medicinal Chemistry, 2022, 73, 117006.
10. Haijia Lu, Huahao Wang, Hongyi Zhao, Dongfeng Zhang*. Recent advances in oxazolidinones as antituberculosis agents. Future Medicinal Chemistry, 2022, 14(15), 1149-1165.
11. Xiao Wang,# Wenting Zhao,# Bin Wang, Wei Ding, Hao Guo, Hongyi Zhao, Jianzhou Meng, Sihan Liu, Yu Lu, Yishuang Liu*, Dongfeng Zhang*. Identification of inhibitors targeting polyketide synthase 13 of Mycobacterium tuberculosis as antituberculosis drug leads. Bioorganic Chemistry, 2021, 114, 105110.
12. Dongfeng Zhang,# Peng Li,# Yongxin Gao, Yaoyao Song, Yaqin Zhu, Hong Su, Beibei Yang, Li Li, Gang Li, Ningbo Gong, Yang Lu, Huanjie Shao,* Chunrong Yu,* and Haihong Huang*. Discovery of a Candidate Containing an (S)-3,3-Difluoro-1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden Scaffold as a Highly Potent Pan-Inhibitor of the BCR-ABL Kinase Including the T315I Resistant Mutant for the Treatment of Chronic Myeloid Leukemia. Journal of Medicinal Chemistry, 2021, 64(11), 7434-7452
13. Yongqi Wu, Bin Wang, Haijia Lu, Hongyi Zhao, Beibei Yang, Li Li, Yu Lu, Dongfeng Zhang*, Ning Sun*, Haihong Huang*. Identification of novel tricyclic benzo[1,3]oxazinyloxazolidinones as potent antibacterial agents with excellent pharmacokinetic profiles against drug-resistant pathogens. Journal of Medicinal Chemistry, 2021, 64(6), 3234-3248
14. Hongyi Zhao, Bin Wang, Lei Fu, Gang Li, Haijia Lu, Yuke Liu, Li Sheng, Yan Li, Baoxi Zhang, Yang Lu, Chen Ma, Haihong Huang*, Dongfeng Zhang*, and Yu Lu*. Discovery of a conformationally constrained oxazolidinone with improved safety and efficacy profiles for the treatment of multidrug-resistant tuberculosis. Journal of Medicinal Chemistry, 2020, 63(17), 9316-9339
15. Wenting Zhao, Bin Wang, Yuke Liu, Lei Fu, Li Sheng, Hongyi Zhao, Yu Lu, Dongfeng Zhang*. Design, synthesis, and biological evaluation of novel 4H-chromen-4-one derivatives as antituberculosis agents against multidrug-resistant tuberculosis. European Journal of Medicinal Chemistry, 2020, 189, 112075
16. Dongfeng Zhang, Yun Lin, Xi Chen, Wenting Zhao, Dongni Chen, Meng Gao, Qinglin Wang, Bin Wang, Haihong Huang*, Yongjun Lu*, Yu Lu*. Docking- and pharmacophore-based virtual screening for the identification of novel Mycobacterium tuberculosis protein tyrosine phosphatase B (MptpB) inhibitor with a thiobarbiturate scaffold. Bioorganic Chemistry, 2019, 85, 229-239
17. Dongfeng Zhang,# Yu Lu,# Kai Liu, Binna Liu, Jingbin Wang, Gang Zhang, Hao Zhang, Yang Liu, Bin Wang, Meiqin Zheng, Lei Fu, Yanyan Hou, Ningbo Gong, Yang Lv, Chun Li, Christopher B. Cooper, Anna M. Upton, Dali Yin, Zhenkun Ma*, and Haihong Huang*. Identification of less lipophilic riminophenazine derivatives for the treatment of drug-resistant tuberculosis. Journal of Medicinal Chemistry, 2012, 55(19), 8409-8417