1. Identification of 3, 4-disubstituted pyridine derivatives as novel CDK8 inhibitors, Haochao Zhang#, Liandong Jing#, Man Liu, Masuo Goto, Fangang Lai, Xiao Liu, Li Sheng, Ying Yang, Yajun Yang, Yan Li, Xiaoguang Chen, Kuo-Hsiung Lee, Zhiyan Xiao*, Eur. J. Med. Chem. 2021, 223: 113634.
2. Design, synthesis and biological evaluation of dipeptides as novel non-covalent 20S proteasome inhibitors, Ya-Jun Yang, Ke Wang, Ying Yang, Fang-Fang Lai, Xiao-Guang Chen, Zhiyan Xiao*, J. Asian Nat. Prod. Res. 2021, 23 (5): 436–451.
3. Design, synthesis and biological evaluation of triaryl compounds as novel 20S proteasome inhibitors, Yajun Yang, Ke Wang, Bo Wu, Ying Yang, Fangfang Lai, Xiaoguang Chen, Zhiyan Xiao*, Bioorg. Med. Chem. Lett. 2020, 30 (21): 127508.
4. Identification of potential indoleamine 2, 3-dioxygenase 1 (IDO1) inhibitors by an FBG-based 3D QSAR pharmacophore model, Lu Zhang, Fangfang Lai, Xiaoguang Chen, Zhiyan Xiao*, J. Mol. Graph. Model. 2020, 99: 107628.
5. Identification of xanthine oxidase inhibitors through hierarchical virtual screening, Ying Yang, Lei Zhang, Jinying Tian, Fei Ye, Zhiyan Xiao*, RSC Adv., 2020, 10: 27752.
6. Identification of natural products as selective PTP1B inhibitors via virtual screening, Ying Yang, Jin-Ying Tian, Fei Ye, Zhiyan Xiao*, Bioorg. Chem. 2020, 98: 103706.
7. Carboxylic acid promoted single-step indole construction from simple anilines and ketones via aerobic cross-dehydrogenative coupling, Long Ren, Guanglei Nan, Yongcheng Wang, Zhiyan Xiao*, J. Org. Chem. 2018, 83 (23): 14472-14488.
8. Novel benzamido derivatives as PTP1B inhibitors with anti-hyperglycemic and lipid-lowering efficacy, Yanbo Tang#, Xiaolin Zhang#, Zheng Chen, Wenwen Yin, Guanglei Nan, Jinying Tian, Fei Ye, Zhiyan Xiao, Acta Pharm. Sin. B 2018, 8 (6): 919–932.
9. Discovery of novel CDK inhibitors via scaffold hopping from CAN508, Liandong Jing, Yanbo Tang, Zhiyan Xiao, Bioorg. Med. Chem. Lett. 2018, 28 (8): 1386–1391.
10. SAR study on N2,N4-disubstituted pyrimidine-2,4-diamines as effective CDK2/CDK9 inhibitors and antiproliferative agents, Liandong Jing, Yanbo Tang, Masuo Goto, Kuo-Hsiung Lee, Zhiyan Xiao, RSC Adv. 2018, 8 (22): 11871–11885.
11. Design, synthesis and biological evaluation of novel indolin-2-ones as potent anticancer compounds, Andong Zhou, Lei Yan, Fangfang Lai, Xiaoguang Chen, Masuo Goto, Kuo-Hsiung Lee, Zhiyan Xiao, Bioorg. Med. Chem. Lett. 2017, 27 (15): 3326-3331.
12. Strategies for the optimization of natural leads to anticancer drugs or drug candidates, Zhiyan Xiao, Susan L. Morris-Natschke, Kuo-Hsiung Lee, Med. Res. Rev. 2016, 36 (1): 32-91.
13. Receptor-based 3D-QSAR in drug design: methods and applications in kinase studies, Cheng Fang, Zhiyan Xiao*, Curr. Top. Med. Chem.2016, 16 (13): 1463-1477.