承担和参加了国家自然科学基金、国家科技攻关项目、科技部863项目等课题的研究。作为第二完成人的科技成果“组合化学平台的建立与应用”经有关专家鉴定为国际先进水平，并获得北京市科技进步三等奖。近年来，从事手性药物和手性光谱学研究，包括：

1.      手性光谱学的基础与应用研究，包括天然产物和手性药物的立体结构表征、不对称反应的过程分析、手性传感体系的构建与应用、生物大分子的空间结构与相互作用研究；

2.      手性药物的研发，主要针对肿瘤和神经退行性疾病。

近年来主要论文

1.      Jia-Min Lu, Bei-Bei Yang, LiLi*. Specific Optical Rotation and Absolute Configuration of FlexibleMolecules Containing a 2-Methylbutyl Residue. European Journal of OrganicChemistry, 2020, doi.org/10.1002/ejoc.202000736.

2.      Fei Xiong, Jun-Yao Zhang, Ting-Ting Du, Bei-Bei Yang, Xiao-Guang Chen,Li Li*. Ultrasound-promoted specificchiroptical sensing of cysteine in aqueous solution and cells. MicrochemicalJournal, 2019, 104471.

3.      Deng Tao, Yue Wang, Xiu-Qi Bao, Bei-Bei Yang, Fan Gao, Lin Wang,Dan Zhang*, Li Li*. Discovery ofcoumarin Mannich base derivatives as multifunctional agents against monoamineoxidase B and neuroinflammation for the treatment of Parkinson's disease. EuropeanJournal of Medicinal Chemistry, 2019, 173, 203-212.

4.      Qinghong Meng, Jiajia Fan, Zhiguo Liu, Xiwen Li, Fangbo Zhang, YanlinZhang, Yi Sun*, Li Li* , Xia Liu, ErbingHua*. Cytotoxic Withanolides from the Whole Herb of Physalis angulata L. Molecules,2019, 24(4), 1608.

5.      Wen-Qiang Liu, Fang-Fang Lai, Jie Zhang, Li Sheng, Yan Li, Li Li*, Xiao-Guang Chen*. Chiralresolution, absolute configuration determination, and stereo-activityrelationship study of the IDO1 inhibitor NLG919. Tetrahedron, 2018, 74(24), 3045-3051.

6.      Guozhu Su, Shungang Jiao, Ruifei Zhang, Li Li*, Suyile Chen, Pengfei Tu, Xingyun Chai*. Alashinol H, anepoxylignan with an unusual six-membered cyclic hemiacetal from Syringapinnatifolia. Tetrahedron Letters, 2018, 59, 1356-1359.

7.      Zhiguo Liu, Xilong Zheng, Yanan Wang, Mengyue Tang, Shilin Chen,Fangbo Zhang, Li Li,* Cun Zhang*, YiSun*. Lignans and isoflavonoids from the stems of Pisonia umbellifera. RSC Advances, 2018, 8, 16383-16391.

8.      Bo Li, Jie Zhang, Bei-Bei Yang, Li Li*, Xiao-Xiao Yang*. Ring-locking strategyfacilitating determination of absolute optical purity of 2-amino-1-butanol byreverse-phase high-performance liquid chromatography. RSC Advances, 2017, 7,45714-45720.

9.      Xiang Zhang, Ming-Chao Wang, LiLi*, Da-Li Yin*. A high-performance liquid chromatography-electroniccircular dichroism online method for assessing the absolute enantiomeric excessand conversion ratio of asymmetric reactions. Scientific Reports, 2017,7: 43278.

10.   Bo Li, Jie Zhang, Yongjuan Xu, Xiaoxiao Yang*, Li Li*. Improved synthesis of unnaturalamino acids for peptide stapling. Tetrahedron Letters, 2017, 58(24):2374–2377.

11.   Qian Li, An-Jun Deng, Li Li*,Lian-Qiu Wu, Ming Ji, Hai-Jing Zhang, Zhi-Hong Li, Lin Ma, Zhi-Hui Zhang,Xiao-Guang Chen, and Hai-Lin Qin*. Azacyclo-indoles and Phenolics from theFlowers of Juglans regia. Journalof Natural Products, 2017, 80, 2189-2198.

12.   An-Jun Deng, Hai-Jing Zhang, Qian Li, Zhi-Hong Li, Zhi-Hui Zhang,Lian-Qiu Wu, Li Li*, Hai-Lin Qin*.Six scalemic mixtures of 6-monosubstituted dihydrobenzophenanthridine alkaloidsfrom Chelidonium majus and optically active structures of enantiomers. Phytochemistry,2017, 14, 159-170.

13.   Junjie Han*, Congcong Liu*, LiLi*, Hui Zhou, Li Liu, Li Bao, Qian Chen, Fuhang Song, Lixin Zhang, ErweiLi, Ling Liu, Yunfei Pei, Cheng Jin, Yanfen Xue, Wenbing Yin, Yanhe Ma, HongweiLiu. Decalin-Containing Tetramic acids and 4-hydroxy-2-pyridones withAntimicrobial and Cytotoxic Activity from the Fungus Coniochaetacephalothecoides Collected in Tibetan Plateau (Medog). The Journal of Organic Chemistry,2017, 82, 11474-11486.

14.   Wan Gao, Jia-Wen Hu, Wei-Zhen Hou, Fang Xu, Jun Zhao, Fang Xu, HuaSun, Jian-Guo Xing, Ying Peng, Xiao-Liang Wang, Teng-Fei Ji*, Li Li*, Zheng-Yi Gu*. Four newprenylated phloroglucinol derivatives from Hypericum scabrum. TetrahedronLetters, 2016, 57(21): 2244–2248.

15.   Xu Yin, Ruifeng Bai, Qiang Guo, Guozhu Su, Jing Wang, Xinyao Yang,Li Li*, Pengfei Tu, Xingyun Chai*.Hendersine A, a novel isoquinoline alkaloid from Corydalis hendersonii. Tetrahedron Letters, 2016, 57(43):4858–4862.

16.   Jian-Bo Yang#, LiLi#, Zhong Dai, Yu Wu, Xing-Chao Geng, Bo Li, Shuang-Cheng Ma,Ai-Guo Wang, Ya-Lun Su. Polygonumnolides C1-C4; minor dianthrone glycosidesfrom the roots of Polygonum multiflorum Thunb. Journal of Asian Natural ProductsResearch, 2016, 18(9): 813-822.

专利

1.      周柔丽，刘刚，李茂进，李莉，单毅，王琳，杨华。乙二醛基双缩氨基硫脲类化合物的新用途，公开号：CN101569619。

2.      冯志强，陈晓光，李燕，尹桂林，金小峰，李莉。含噻唑环的丙炔酰胺类衍生物及其制法和药物组合物与用途。申请号：201410133649.0。

3.      冯志强，陈晓光，李燕，王景静，金小峰，李莉。含噁唑环的丙炔酰胺类衍生物及其制法和药物组合物与用途。申请号：201410132933.6。

4.      冯志强，王景静，李莉。偶氮苯衍生物及其制法和药物组合物与用途。申请号：201410542375.0。

5.      冯志强，陈晓光，李燕，王景静，周婉琪，郑若男，李莉。苯并噁唑衍生物及其制法和药物组合物与用途。申请号：201611266272.1。

6.      李莉，王琳，张丹，鲍秀琦，高琦，臧彩霞，郑远鹏。香豆素曼尼希碱及其在防治神经退行性疾病中的用途。申请号：201611177885.8。

7.      李莉，刘文强，张洁，杨蓓蓓。1-环己基-2-(5H-咪唑[5,1-a]异吲哚)乙基-1-酮的拆分。申请号：201611213882.5。

8.      李莉，张洁，李博，杨蓓蓓，熊斐，陶登，刘文强，卢家民。一种识别氨基酸及肽类化合物绝对构型和光学纯度的方法。申请号：201810235875.8。