个人简介
副教授，博士生导师。主要从事天然药物和药物设计合成研究，利用质谱、核磁共振、计算化学、计算机辅助药物设计、人工智能等多学科的技术交叉融合，研究开发抗肿瘤、抗微生物、免疫抑制、代谢性疾病等创新药物。在科研上引入各学科的新兴技术，积极探索药物开发的新思路新方法。主持国家自然科学基金面上项目一项、国家自然科学基金青年基金一项、湖南省重点研发项目一项、湖南省自然科学基金青年项目一项，2022年湖湘青年英才项目资助。指导硕士研究生获得2023年湖南省研究生创新项目一项。
研究兴趣与方向
药物设计与合成、天然药物化学、计算药物化学、人工智能药学
2025研究生招生名额1，计划招生方向：
1. 药物设计和合成：神经保护活性分子的设计与合成。需求：最好有药物合成经验。
2. 人工智能药学：（1）基于深度学习的蛋白质核磁共振化学位移以及二维、三维谱图预测和化学位移信号归属；（2）药物分子生成、优化、代谢等性质预测。需求：编程基础，认真细致。
3. 天然药物化学：土壤微生物的新颖次生代谢产物发现，及活性测试、机理研究。需求：波谱解析和分离提取经验。
4. 自由探索：学生提出想法，与导师沟通后确认可行，可自由开展。
联系方式
wangwenxuan@csu.edu.cn
代表性论文：
人工智能和计算化学方向：
1. Wen-Jing Ai#, Jing Li#, Dongsheng Cao, Shao Liu, Yi-Yun Yuan, Yan Li, Gui-Shan Tan, Kang-Ping Xu, Xia Yu, Fenghua Kang, Zhen-Xing Zou, and Wen-Xuan Wang,* A Very Deep Graph Convolutional Network for 13C NMR Chemical Shift Calculations with Density Functional Theory Level Performance for Structure Assignment, Journal of Natural Products, 2024, 87: 743-752.
2. Jing Li, Ji-Kai Liu, and Wen-Xuan Wang*, GIAO 13C NMR Calculation with Sorted Training Sets Improves Accuracy and Reliability for Structural Assignation, The Journal of Organic Chemistry, 2020, 85: 11350-11358.
天然药物化学方向：
1. Dan Li#, Wenxuan Wang#, Kangping Xu#, Jing Li, Bi Long, Zhansheng Li, Guishan Tan, Xia Yu,* Elucidation of a Dearomatization Route in the Biosynthesis of Oxysporidinone Involving a TenA-like Cytochrome P450 Enzyme, Angew Chem Int Ed Engl. 2023, 62(25): e202301976.
2. Jing Li,# Ji-Song Mo,# Yi-Yun Yuan, Ai-Lin Liang, Wen-Yu Lu, Peng-Ju Xu, Yan Li, Wen-Xuan Wang,* Chemical constituents from the soil fungus Penicillium sp. DWS853 and their cytotoxic activity, Journal of Molecule Structures, 2025, 1321: 140025.
3. Yi-Yun Yuan, Yan Li, Jing Li, Wen-Yu Lu, Ai-Lin Liang, Peng-Ju Xu, Wen-Xuan Wang*, Chemical constituents from a soil fungus Xylaria sp. Y01 and their anticancer potential, Journal of Molecule Structures, 2025, 1321: 140274.
4. Jing Li, Jing Wang, Xi Zhou, Xiao-Qian Wu, Yan Li, Yi-Yun Yuan, Wen-Yu Lu, Ai-Lin Liang, Peng-Ju Xu, Wen-Xuan Wang,* Heterodimeric diketopiperazine alkaloids from Penicillium expansum MA147 and their cytotoxicity, Organic Biomolecular Chemistry, 2024, 22: 8869-8880.
5. Yu-Fen Tan#, Ji-Song Mo#, Yi-Kun Wang, Wei Zhang, Yue-Ping Jiang, Kang-Ping Xu, Gui-Shan Tan, Shao Liu, Jing Li*; Wen-Xuan Wang*. Journal of Ethnopharmacology, 2023, 319: 117353.
6. Xiao-Qian Wu#, Jing Li#, Xi Zhou, Jing Wang, Yu-Fen Tan, Ji-Song Mo, Shao Liu, Kang-Ping Xu, Gui-Shan Tan, Wei Zhang, Wen-Xuan Wang*. Phytochemistry, 2023, 212: 113730.
7. Wen-Xuan Wang; Gui-Guang Cheng; Zheng-Hui Li; Hong-Lian Ai; Juan He; Jing Li*; Tao Feng*; Ji-Kai Liu*. Organic & Biomolecular Chemistry, 2019, 17: 7985-7994.
8. Wen-Xuan Wang; Xinxiang Lei; Hong-Lian Ai*; Xue Bai; Jing Li; Juan He; Zheng-Hui Li; Yong-Sheng Zheng; Tao Feng*; Ji-Kai Liu*. Organic Letters, 2019, 21: 1108-1111.
9. Wen-Xuan Wang; Xinxiang Lei; Yan-Ling Yang; Zheng-Hui Li; Hong-Lian Ai; Jing Li*; Tao Feng*; Ji-Kai Liu*. Organic letters, 2019, 21: 6957-6960.
10. Wen-Xuan Wang; Zheng-Hui Li; Tao Feng; Jing Li; Huan Sun; Rong Huang; Qing-Xia Yuan; Hong-Lian Ai*; Ji-Kai Liu*. Organic Letters, 2018, 20: 7758-7761.
8. Jing Li; Wen-Xuan Wang*; Zheng-Hui Li; Juan He; Rong Huang; Yong-Sheng Zheng; Lan-Qing Li; Xian Wang; Tao Feng*; Ji-Kai Liu*. Organic Letters, 2019, 21: 6145-6148.
药物设计和合成方向：
1. Yun-Yun Li#, Jing Li#, Yan Li, Hong-Ping Long, Wei Lin, Yi-Kun Wang, Rong Tang, Xue-Wu Liu, Dejian Jiang, Shao Liu, Dongsheng Cao, Gui-Shan Tan, Kang-Ping Xu, Wen-Xuan Wang*, Binding uric acid: a pure chemical solution for the treatment of hyperuricemia, RSC Advances. 2024, 14(33): 24165-24174.
2. Fei Yang#, Kangping Xu#, Sha Zhang, Jinlin Zhang, Yaoren Qiu, Jin Luo, Guishan Tan, Zhenxing Zou, Wenxuan Wang*, Fenghua Kang*. Bioorganic & Medicinal Chemistry, 2022, 66: 116809.
