研究方向主要有防治神经退行性疾病新药、抗病毒感染新药的发现与机制研究，以及药物信息与智能计算平台的开发与应用。
职 称：研究员
所属科室：国家药物筛选中心
导师类别：博士生导师
联系方式：liuailin@imm.ac.cn
所属重点实验室：
1. Cai C, Chen Z, Wang Z, Wu L, Liu Z, Fang J* and Liu A*. ADMETPred: A High-Throughput ADMET Prediction Platform Integrating Multi-Model Algorithms and Interpretable Substructure Identification. SCIENCE CHINA Life Sciences, 2026, https://doi.org/10.1007/s11427-025-3166-8.
2. Guo P, Zhao J, Wang C, Bai Y, Zhang B, Liu A*. Effect of DL0410 and tetrahydrocurcumin (LG0367) alone and in combination on learning and memory in vascular dementia. Eur J Pharmacol. 2026 Mar 4:178730. doi:10.1016/j.ejphar.2026.178730.
3. Shao H#, Bai Y#, Wu C, Sun J, Zhou Z, Chen R, Liu A*, Li Y*, Kang J*. Anti-influenza virus activities of triterpenes from the antler-shaped fruiting bodies of Ganoderma lucidum. Phytochemistry. 2026 Mar 25;247:114877. doi:10.1016/j.phytochem.2026.114877.
4. Zhao J, Guo P, Fang J, Wang C, Yan C, Bai Y, Wang Z, Du G, Liu A*. Neuroinflammation inhibition and neuroprotective effects of purpurin, a potential anti-AD compound, screened via network proximity and gene enrichment analyses. Phytother Res. 2024 Nov;38(11):5474-5489.
5. Yan C, Liu Z, Bai Y, Wang Z, Fang J*, Liu A*. 3DSTarPred: A Web Server for Target Prediction of Bioactive Small Molecules Based on 3D Shape Similarity. J Chem Inf Model. 2024 Nov 11;64(21):8105-8112.
6. Zhang B, Zhao J, Yan C, Bai Y, Guo P, Wang C, Wang, Du G, Liu A*. Combination of RNA-seq and proteomics reveals the mechanism of DL0410 treatment in APP/PS1 transgenic mouse model of Alzheimer's disease. Biomedicine & Pharmacotherapy, 2024, August, 177: 116940. https://doi.org/10.1016/j.biopha.2024.116940.
7. Liu A*#, Zhao J#, Huls NJ, Zeller M, Wang L and Li T*. The Structural Basis of DL0410, A Novel Multi-Target Candidate Drug for the Treatment of Alzheimer’s Disease. Crystals 2024, 14(1), 59. https://doi.org/10.3390/cryst14010059.
8. Guo P Zhang B, Zhao J, Wang C, Wang Z, Liu A*, Du G*. Medicine-Food Herbs against Alzheimer’s Disease: A Review of Their Traditional Functional Features, Substance Basis, Clinical Practices and Mechanisms of Action. Molecules, 2022 Jan 28;27(3):901. doi.org/10.3390/molecules27030901.
9. Zhang B, Zhao J, Wang Z, Guo P, Liu A* and Du G*. Identification of Multi-Target Anti-AD Chemical Constituents From Traditional Chinese Medicine Formulae by Integrating Virtual Screening and In Vitro Validation. Front. Pharmacol., 2021 Jul 16:12:709607. doi: 10.3389/fphar.2021.709607.
10. Zhang B, Lian W, Zhao J, Wang Z, Liu A*, Du G*. DL0410 alleviates memory impairment in D-galactose-induced aging rats by suppressing neuroinflammation via TLR4/ MyD88/ NF-κB pathway. Oxidative Medicine and Cellular Longevity, 2021 Oct 4:2021:6521146. https://doi.org/10.1155/2021/6521146.
11. Zhang B, Zhao J, Guo P, Wang Z, Xu L, Liu A*, Du G*. Effects of Naodesheng tablets on amyloid beta-induced dysfunction: A traditional Chinese herbal formula with novel therapeutic potential in Alzheimer's disease revealed by systems pharmacology. Biomed Pharmacother. 2021 Sep;141:111916. doi:10.1016/j.biopha.2021.111916.
12. Zhou W, Lian WW, Yan R, Jia H, Xu LJ, Wang L, Liu AL*, Du GH*. DL0410 ameliorates cognitive deficits in APP/PS1 transgenic mice by promoting synaptic transmission and reducing neuronal loss. Acta Pharmacol Sin. 2020, 41(5):599-611.
13. Zhang B, Zhao J, Wang Z, Xu L, Liu A*, Du G*. DL0410 attenuates oxidative stress and neuroinflammation via BDNF/TrkB/ERK/CREB and Nrf2/HO-1 activation. Int Immunopharmacol. 2020 Jul 6;86:106729. doi: 10.1016/j.intimp.2020.106729.
14. Wang C, Huang YM, Zhao J, Bai YM, Yan CQ, Du GH, Zheng LS*, Liu AL*. Fumarprotocetraric acid and Geraniin were identified as novel inhibitors of human respiratory syncytial virus infection in vitro. Frontiers in Cellular and Infection Microbiology, 2024 Dec 24:14:1484245.
15. Xu L#, Cai C#, Fang J, Wu Q, Zhao J, Wang Z, Guo P, Zheng L*, Liu A*. Systems pharmacology dissection of pharmacological mechanisms of Xiaochaihu decoction against human coronavirus. BMC Complement Med Ther. 2023 Jul 20;23(1):252. doi: 10.1186/s12906-023-04024-6.
16. Zhao J, Xu L, Bai Y, Wang C, Guo P, Wang Z, Du G, Liu A*. The efficacy and mechanism of salmeterol against influenza A virus in vitro and in vivo. Int Immunopharmacol. 2023 Jun;119:110226. doi: 10.1016/j.intimp.2023.110226.
17. Zhao J#, Ma Q#, Zhang B, Guo P, Wang Z, Liu Y, Meng M, Liu A*, Yang Z *, and Du G*. Exploration of SARS-CoV‑2 3CLpro Inhibitors by Virtual Screening Methods, FRET Detection, and CPE Assay. Journal of Chemical Information and Modeling, 2021, 61(12):5763-5773. https://doi.org/10.1021/acs.jcim.1c01089
18. Cai C, Xu L, Fang J, Dai Z, Wu Q, Liu X, Wang Q, Fang J*, Liu AL*, Du GH*. In Silico Prediction and Bioactivity Evaluation of Chemical Ingredients Against Influenza A Virus From Isatis tinctoria L. Front Pharmacol. 2021 Dec 7;12:755396. doi: 10.3389/fphar.2021.755396.
19. Xiao M#, Xu L#, Lin D, Lian W, Cui M, Zhang M, Yan X, Li S, Zhao J, Ye J*, Liu A*, Hu A*. Design, synthesis, and bioassay of 4-thiazolinone derivatives as influenza neuraminidase inhibitors. Eur J Med Chem. 2021 Mar 5; 213:113161. doi:10.1016/j.ejmech.2021.113161.
20. Fang J, Wu Q, Ye F , Cai C, Xu L, Gu Y, Wang Q, Liu A*, Tan W* and Du G*. Network-based identification and experimental validation of drug candidates toward SARS-CoV-2 via targeting virus-host interactome. Frontiers in Genetics, 2021 Sep 1:12:728960. doi: 10.3389/fgene.2021.728960
21. Xu L#, Jiang W#, Jia H, Zheng L, Xing J, Liu A*, Du G*. Discovery of Multitarget-Directed Ligands Against Influenza A Virus From Compound Yizhihao Through a Predictive System for Compound-Protein Interactions. Front Cell Infect Microbiol. 2020 Feb 11;10:16. doi: 10.3389/fcimb.2020.00016.
22. 刘艾林 主编。抗病毒药物研发原理：快速发现技术与应用实践。北京：清华大学出版社，2024年12月。