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浏览/检索结果: 共29条，第1-10条 帮助 已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择发表日期升序发表日期降序提交时间升序提交时间降序题名升序题名降序作者升序作者降序 Site-specific protein modification by 3-n-butylphthalide in primary hepatocytes: Covalent protein adducts diminished by glutathione and N-acetylcysteine 期刊论文 LIFE SCIENCES, 2021, 卷号: 287, 页码: 14 作者:  Xue, Yaru;  Ren, Xuelian;  Zhu, Zhengdan;  Lei, Peng;  Liu, Mengling 收藏  |  浏览/下载：36/0  |  提交时间：2022/01/18 3-n-butylphthalide  Hepatotoxicity  Oxidative stresses  Covalent protein modification  Drug-drug interaction   Discovery of chiral N-2 '-aryletheryl-1 '-alkoxy-ethyl substituted arylisoquinolones with anti-inflammatory activity from the nucleophilic addition reactions of the thiophenols and oxazolinium 期刊论文 EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2021, 卷号: 222, 页码: 11 作者:  Li, Bo;  Li, Heng;  Zhu, Zhengdan;  Xiang, Caigui;  Xu, Zhijian 收藏  |  浏览/下载：96/0  |  提交时间：2021/11/04 Anti-inflammatory activity  TNF alpha  ER beta  IBD Arylisoquinolones   Ligand-based approach for predicting drug targets and for virtual screening against COVID-19 期刊论文 BRIEFINGS IN BIOINFORMATICS, 2021, 卷号: 22, 期号: 2, 页码: 1053-1064 作者:  Yang, Yanqing;  Zhu, Zhengdan;  Wang, Xiaoyu;  Zhang, Xinben;  Mu, Kaijie 收藏  |  浏览/下载：25/0  |  提交时间：2021/11/16 D3Similarity  COVID-19  target prediction  database  virtual screening   Substitution Effect of the Trifluoromethyl Group on the Bioactivity in Medicinal Chemistry: Statistical Analysis and Energy Calculations 期刊论文 JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2020, 卷号: 60, 期号: 12, 页码: 6242-6250 作者:  Abula, Amina;  Xu, Zhijian;  Zhu, Zhengdan;  Peng, Cheng;  Chen, Zhaoqiang 收藏  |  浏览/下载：24/0  |  提交时间：2021/05/24 Computational Insights into the Conformational Accessibility and Binding Strength of SARS-CoV-2 Spike Protein to Human Angiotensin-Converting Enzyme 2 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2020, 卷号: 11, 期号: 24, 页码: 10482-10488 作者:  Peng, Cheng;  Zhu, Zhengdan;  Shi, Yulong;  Wang, Xiaoyu;  Mu, Kaijie 收藏  |  浏览/下载：29/0  |  提交时间：2021/05/24 Computational study of the substituent effect of halogenated fused-ring heteroaromatics on halogen bonding 期刊论文 JOURNAL OF MOLECULAR MODELING, 2020, 卷号: 26, 期号: 10, 页码: 12 作者:  Zhang, Qihua;  Smalley, Adam;  Zhu, Zhengdan;  Xu, Zhijian;  Peng, Cheng 收藏  |  浏览/下载：50/0  |  提交时间：2020/12/21 Halogen bonding  Fused-ring heteroaromatics  Quantum chemistry calculation  sigma-hole  Electrostatic potential  Binding energy   D3Targets-2019-nCoV: a webserver for predicting drug targets and for multi-target and multi-site based virtual screening against COVID-19 期刊论文 ACTA PHARMACEUTICA SINICA B, 2020, 卷号: 10, 期号: 7, 页码: 1239-1248 作者:  Shi, Yulong;  Zhang, Xinben;  Mu, Kaijie;  Peng, Cheng;  Zhu, Zhengdan 收藏  |  浏览/下载：27/0  |  提交时间：2020/12/24 COVID-19  SARS-CoV-2  Target prediction  Multi-conformation  Multi-site  Docking  D3Targets-2019-nCoV   Interaction Nature and Computational Methods for Halogen Bonding: A Perspective 期刊论文 JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2020, 卷号: 60, 期号: 6, 页码: 2683-2696 作者:  Zhu, Zhengdan;  Xu, Zhijian;  Zhu, Weiliang 收藏  |  浏览/下载：25/0  |  提交时间：2020/12/24 Alopecines A-E, five chloro-containing matrine-type alkaloids with immunosuppressive activities from the seeds of Sophora alopecuroides 期刊论文 BIOORGANIC CHEMISTRY, 2020, 卷号: 99, 页码: 5 作者:  Wang, Xiao-Feng;  Zhu, Zhengdan;  Hao, Ting-Ting;  Fang, Qiang-Qiang;  Jiang, Kun 收藏  |  浏览/下载：33/0  |  提交时间：2020/07/01 Sophora alopecuroides  Alkaloids  Cl-containing matrines  Absolute configuration  Immunosuppressive activity   The differences and cooperativity between Ge (Sn)center dot center dot center dot O tetrel bonds and X (X = F, Cl, Br, and I)center dot center dot center dot O halogen bonds 期刊论文 CHEMICAL PHYSICS, 2020, 卷号: 534, 页码: 6 作者:  Li, Yuchun;  Wang, Xiaoting;  Wang, Hui;  Lu, Yunxiang;  Zhu, Zhengdan 收藏  |  浏览/下载：33/0  |  提交时间：2020/07/01 Noncovalent bond  First-principles  Molecular structure  Electronic properties  Cooperative effect