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Chuanyu Lyu, Tong Chen, Bo Qiang, Ningfeng Liu, Heyu Wang, Liangren Zhang, Zhenming Liu*, CMNPD: a comprehensive marine natural products database towards facilitating drug discovery from the ocean, Nucleic Acids Research, 2020 Sept 28; gkaa763. doi: 10.1093/nar/gkaa763.
Zhang H, He X, Wang X, Yu B, Zhao S, Jiao P, Jin H, Liu Z*, Wang K, Zhang L, Zhang L. Design, synthesis and biological activities of piperidine-spirooxadiazole derivatives as α7 nicotinic receptor antagonists. Eur J Med Chem. 2020 Aug 22; 207:112774. doi: 10.1016/j.ejmech.2020.112774.
Jiao P, Wang Y, Mao B, Wang B, Zhong Y, Jin H, Zhang L, Zhang L, Liu Z*. Discovery of 2-(2-aminobenzo[d]thiazol-6-yl) benzo[d]oxazol-5-amine derivatives that regulated HPV relevant cellular pathway and prevented cervical cancer from abnormal proliferation. Eur J Med Chem. 2020 Oct 15; 204:112556. doi: 10.1016/j.ejmech.2020.112556.
Lai J, Hu J, Wang Y, Zhou X, Li Y, Zhang L, Liu Z*. Privileged Scaffold Analysis of Natural Products with Deep Learning-based Indication Prediction Model. Mol Inform. 2020 May 14. doi: 10.1002/minf.202000057.
Wang Y, Hu J, Lai J, Li Y, Jin H, Zhang L, Zhang LR, Liu ZM*. TF3P: Three-Dimensional Force Fields Fingerprint Learned by Deep Capsular Network. J Chem Inf Model. 2020 Jun 22; 60(6): 2754-2765. doi: 10.1021/acs.jcim.0c00005.
Zou Y, Hu J, Jie J, Lai J, Li M, Liu Z*, Zou X. Comprehensive analysis of human IgG Fc N-glycopeptides and construction of a screening model for colorectal cancer. J Proteomics. 2020 Feb 20; 213:103616. doi: 10.1016/j.jprot.2019.103616.
Li Y, Hu J, Wang Y, Zhou J, Zhang L, Liu Z*. DeepScaffold: A Comprehensive Tool for Scaffold-Based De Novo Drug Discovery Using Deep Learning. J Chem Inf Model. 2020 Jan 27; 60(1): 77-91. doi: 10.1021/acs.jcim.9b00727.
Xu HY; Zhang YQ; Liu ZM#; Chen T; Lv CY; Tang SH; Zhang XB; Zhang W; Li ZY; Zhou RR;Yang HJ; Wang XJ; Huang LQ. ETCM: an encyclopaedia of traditional Chinese medicine. Nucleic Acids Research. 2019. 47(D1): D976-D982. doi: 10.1093/nar/gky987.
Yu P, Liu Z#, Yu X, Ye P, Liu H, Xue X, Yang L, Li Z, Wu Y, Fang C, Zhao YJ, Yang F, Luo JH, Jiang LH, Zhang L, Zhang L, Yang W. Direct Gating of the TRPM2 Channel by cADPR via Specific Interactions with the ADPR Binding Pocket. Cell Rep. 2019 Jun 18; 27(12): 3684-3695.e4. doi: 10.1016/j.celrep.2019.05.067.
Yang L, Liu Y, Fan M, Zhu G, Jin H, Liang J, Liu Z*, Huang Z, Zhang L. Identification and characterization of benzo[d]oxazol-2(3H)-one derivatives as the first potent and selective small-molecule inhibitors of chromodomain protein CDYL. Eur J Med Chem. 2019 Nov 15; 182: 111656. doi: 10.1016/j.ejmech.2019.111656.
Xue Y, He X, Yang T, Wang Y, Liu Z*, Zhang G, Wang Y, Wang K, Zhang L, Zhang L. Discovery of fused heterocyclic carboxamide derivatives as novel α7-nAChR agonists: Synthesis, preliminary SAR and biological evaluation. Eur J Med Chem. 2019 Nov 15;182:111618. doi: 10.1016/j.ejmech.2019.111618.
Dou X, Huang H, Li Y, Jiang L, Wang Y, Jin H, Jiao N, Zhang L, Zhang L, Liu Z*. Multistage Screening Reveals 3-Substituted Indolin-2-one Derivatives as Novel and Isoform-Selective c-Jun N-terminal Kinase 3 (JNK3) Inhibitors: Implications to Drug Discovery for Potential Treatment of Neurodegenerative Diseases. J Med Chem. 2019 Jul 25; 62(14): 6645-6664. doi: 10.1021/acs.jmedchem.9b00537.
Yang L, Li T, Li S, Wu Y, Shi X, Jin H, Liu Z*, Zhao Y, Zhang L, Lee HC, Zhang L. Rational Design and Identification of Small-Molecule Allosteric Inhibitors of CD38. Chembiochem. 2019 Oct 1; 20(19): 2485-2493. doi: 10.1002/cbic.201900169.
Wang Y, Dou X, Jiang L, Jin H, Zhang L, Zhang L, Liu Z*. Discovery of novel glycogen synthase kinase-3α inhibitors: Structure-based virtual screening, preliminary SAR and biological evaluation for treatment of acute myeloid leukemia. Eur J Med Chem. 2019 Jun 1; 171: 221-234. doi: 10.1016/j.ejmech.2019.03.039.
Li Y, Zhang L, Liu Z*. Multi-objective de novo drug design with conditional graph generative model. J Cheminform. 2018 Jul 24; 10(1):33. doi: 10.1186/s13321-018-0287-6.
Zhang H, Liu H, Luo X, Wang Y, Liu Y, Jin H, Liu Z*, Yang W, Yu P, Zhang L, Zhang L. Design, synthesis and biological activities of 2,3-dihydroquinazolin-4(1H)-one derivatives as TRPM2 inhibitors. Eur J Med Chem. 2018 May 25; 152:235-252. doi: 10.1016/j.ejmech.2018.04.045.
Chen Y, Tang Y, Mao B, Li W, Jin H, Zhang L, Liu Z*. Discovery of N-(Naphtho[1,2-b]Furan-5-Yl) Benzenesulfonamides as Novel Selective Inhibitors of Triple-Negative Breast Cancer (TNBC). Molecules. 2018 Mar 16; 23(3). pii: E678. doi: 10.3390/molecules23030678
Dou X,Jiang L,Wang Y,Jin H,Liu Z*,Zhang L*. Discovery of new GSK-3β inhibitors through structure-based virtual screening. Bioorg Med Chem Lett.2018 Jan 15; 28(2):160-166.
Wang X, Zhang X, Zhang K, Hu J, Liu Z, Jin H, Zhang L, Zhang L. Calcium-Mobilizing Behaviors of Neutral Cyclic ADP-Ribose Mimics that Integrate Modifications to the Nucleobase, Northern Ribose and Pyrophosphate. Chembiochem. 2018 Jul 4; 19(13):1444-1451. doi: 10.1002/cbic.201800133.
Fan N, Zhang S, Sheng T, Zhao L, Liu Z*, Liu J, Wang X*. Docking Field-based QSAR and pharmacophore studies on the substituted pyrimidine derivatives targeting HIV-1 reverse transcriptase. Chem Biol Drug Des. 2017 Aug 17. doi: 10.1111/cbdd.13086.