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within Article Remove this filter Zhenjiang Zhao Remove this filter Science, Humanities and Social Sciences, multidisciplinary Remove this filter

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  1. Article

    Open Access

    Rational Design of Benzylidenehydrazinyl-Substituted Thiazole Derivatives as Potent Inhibitors of Human Dihydroorotate Dehydrogenase with in Vivo Anti-arthritic Activity

    Human dihydroorotate dehydrogenase (hDHODH) is an attractive therapeutic target for the treatment of rheumatoid arthritis, transplant rejection and other autoimmune diseases. Based on the X-ray structure of hDHOD...

    Shiliang Li, Guoqin Luan, **aoli Ren, Wenlin Song, Liuxin Xu… in Scientific Reports (2015)

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  2. Article

    Open Access

    Structure-Guided Design of C4-alkyl-1,4-dihydro-2H-pyrimido[4,5-d][1,3]oxazin-2-ones as Potent and Mutant-Selective Epidermal Growth Factor Receptor (EGFR) L858R/T790M Inhibitors

    Epidermal growth factor receptor (EGFR) T790M acquired drug-resistance mutation has become a major clinical challenge for the therapy of non-small cell lung cancer. Here, we applied a structure-guided approach...

    Yongjia Hao, Jiankun Lyu, Rong Qu, Deheng Sun, Zhenjiang Zhao… in Scientific Reports (2017)

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  3. Article

    Open Access

    Macrocyclization of linear molecules by deep learning to facilitate macrocyclic drug candidates discovery

    Interest in macrocycles as potential therapeutic agents has increased rapidly. Macrocyclization of bioactive acyclic molecules provides a potential avenue to yield novel chemical scaffolds, which can contribut...

    Yanyan Diao, Dandan Liu, Huan Ge, Rongrong Zhang, Kexin Jiang… in Nature Communications (2023)

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