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成果及论文

1.        Wen, Wuqiang; Cao, Hongxuan; Xu, Yixiang; Ren, Yanliang*; Rao, Li; Shao, Xubo; Chen, Han; Wu, Lixia; Liu, Jiaqi; Su, Chen; Peng, Chao; Huang, Yunyuan*; Wan, Jian*. N-Acylamino Saccharin as an Emerging Cysteine-Directed Covalent Warhead and Its Application in the Identification of Novel FBPase Inhibitors toward Glucose Reduction. J. Med. Chem. 2022, 65, 9126-9143.

2.        Wen, Wuqiang; Cao, Hongxuan; Huang, Yunyuan; Tu, Jie; Wan, Chen; Wan, Jian*; Han, Xinya; Chen, Han; Liu, Jiaqi; Rao, Li; Su, Chen; Peng, Chao; Sheng, Chunquan* and Ren, Yanliang*. Structure-Guided Discovery of the Novel Covalent Allosteric Site and Covalent Inhibitors of Fructose-1,6-Bisphosphate Aldolase to Overcome the Azole Resistance of Candidiasis. J. Med. Chem. 2022, 65, 2656-2674.

3.        Wei, Lin, Chen, Yaru, Liu, Jiaqi, Rao, Li*, Ren, Yanliang, Xu, Xin* and Wan, Jian*. Cov_DOX: A Method for Structure Prediction of Covalent Protein–Ligand Bindings. J. Med. Chem. 2022, 65, 5528-5538.

4.        Han, Xinya; Huang, Yunyuan; Wei, Lin; Chen, Haifeng; Guo, Yanrong; Tang, Zilong; Hu, Wei; Xia, Qinfei; Wang, Qi; Yan, Jufen; Ren, Yanliang*. Biological evaluation and SAR analysis of novel covalent inhibitors against fructose-1,6-bisphosphatase. Bioorg. Med. Chem. 2020, 28, 115624

5.        Xu, Yixiang; Huang, Yunyuan; Song, Rongrong; Ren, Yanliang; Chen, Xi; Zhang, Chao; Mao, Fei; Li, Xiaokang; Zhu, Jin; Ni, Shuaishuai; Wan, Jian*; Li, Jian*, Development of disulfide-derived fructose-1,6-bisphosphatase (FBPase) covalent inhibitors for the treatment of type 2 diabetes. Eur. J. Med. Chem. 2020, 203, 112500.

6.        Huang, Yunyuan; Xu, Yixiang; Song, Rongrong; Ni, shuaishuai; Liu, Jiaqi; Xu, Yanhong; Ren, Yanliang*; Rao, Li; Wang, Yingjie.; Wei, Lin.; Feng, Lingling; Su, Chen; Peng, Chao; Li, Jian*; Wan, Jian*. Identification of the new covalent allosteric binding site of FBPase with disulfiram derivatives toward glucose reduction. J. Med. Chem. 2020, 11, 6238.

7.        Wei, Lin; Wen, Wuqiang; Rao, Li; Huang, Yunyuan; Lei, Mengting; Liu, Kai; Hu, Saiya; Song, Rongrong; Ren, Yanliang*; Wan, Jian*, Cov_FB3D: A de novo covalent drug design protocol integrating the BA-SAMP strategy and machine-learning-based synthetic tractability evaluation. J. Chem. Inf. Model. 2020, 60, 4388-4402.

8.     Huang, Yunyuan; Wei, Lin; Han, Xinya; Chen, Haifeng; Ren, Yanliang*; Xu, Yanhong; Song, Rongrong; Rao, Li; Su, Chen; Peng, Chao; Feng, Lingling; Wan, Jian*, Discovery of novel allosteric site and covalent inhibitors of FBPase with potent hypoglycemic effects. Eur. J. Med. Chem. 2019, 184, 111749.

9.     Wei, Lin; Chi, Bo; Ren, Yanliang; Rao, Li; Wu, Jue; Shang, Huan; Liu, Jiaqi; Xiao, Yiting; Ma, Minghui; Xu, Xin; Wan, Jian, Conformation Search Across Multiple-Level Potential-Energy Surfaces (CSAMP): A Strategy for Accurate Prediction of Protein-Ligand Binding Structures. J. Chem. Theory Comput. 2019, 15, 4264.

10.     Xiao, Shan; Wei, Lin; Hong, Zongqin; Rao, Li; Ren, Yanliang*; Wan, Jian*; Feng, Lingling, Design, synthesis and algicides activities of thiourea derivatives as the novel scaffold aldolase inhibitors. Bioorgan. Med. Chem. 2019, 27, 805-812.

11.     Huang, Yunyuan.; Chi, Bo.; Xu, Yanhong.; Song, Rongrong.; Wei, Lin.; Rao, Li.; Feng, Lingling.; Ren, Yanliang*; Wan, Jian*, In silico screening of a novel scaffold for fructose-1,6-bisphosatase (FBPase) inhibitors. J. Mol. Graph. Model 2018, 86, 142-148.

12.     Ding Li, Tuong Thi Mai Tuong, Wen-Jia Dan, Yanliang Ren*, Hoang Xuan Nien, An-Ling Zhang, Jin-Ming Gao*, Natural products as sources of new fungicides (IV):Synthesis and biological evaluation of isobutyrophenone analogs as potential inhibitors of class-II fructose-1,6-bisphosphate aldolase, Bioorg. Med. Chem., 2018, 26, 386-393

13.        Xinya Han, Xiuyun Zhu, Zongqin Hong, Lin Wei, Yanliang Ren,* Fen Wan, Shuaihua Zhu, Hao Peng, Li Guo, Li Rao, Lingling Feng and Jian Wan,* Structure-Based Rational Design of Novel Inhibitors Against Fructose-1,6-Bisphosphate Aldolase from Candida albicans. J. Chem. Inf. Model. 2017, 57, 1426.