中国科学院机构知识库网格系统: 检索

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	Review of Voltage-gated Calcium Channel alpha 2 delta Subunit Ligands for the Treatment of Chronic Neuropathic Pain and Insight into Structure-activity Relationship (SAR) by Pharmacophore Modeling 期刊论文 OAI收割 CURRENT MEDICINAL CHEMISTRY, 2022, 卷号: 29, 期号: 30, 页码: 5097-5112 作者: Chen, Yuting; Wu, Qingqing; Jin, Zhengsheng; Qin, Yanlan; Meng, Fancui \| 收藏 \| 浏览/下载：30/0 \| 提交时间：2022/11/11 Voltage-gated calcium channel alpha 2 delta subunit neuropathic pain structure-activity relationship (SAR) pharmacophore modeling gabapentinoids
	Pharmacophore-Based Virtual Screening Toward the Discovery of Novel Anti-echinococcal Compounds 期刊论文 OAI收割 FRONTIERS IN CELLULAR AND INFECTION MICROBIOLOGY, 2020, 卷号: 10, 页码: 12 作者: Liu, Congshan; Yin, Jianhai; Yao, Jiaqing; Xu, Zhijian; Tao, Yi \| 收藏 \| 浏览/下载：44/0 \| 提交时间：2020/07/01 echinococcosis Echinococcus multilocularis pharmacophore modeling virtual screenings in vitro drug screen cytotoxicity E multilocularis-infected mice pharmacokinetics analysis
	Identification of potential AMPK activator by pharmacophore modeling, molecular docking and QSAR study 期刊论文 OAI收割 COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2019, 卷号: 79, 页码: 165-176 作者: Li, Yingying; Peng, Jiale; Li, Penghua; Du, Haibo; Li, Yaping \| 收藏 \| 浏览/下载：68/0 \| 提交时间：2019/07/29 Pharmacophore modeling Molecular docking Quantitative structure activity relationship (QSAR) Molecular dynamics AMPK Activator
	Pharmacophore modeling, molecular docking and molecular dynamics simulations toward identifying lead compounds for Chk1 期刊论文 OAI收割 COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2018, 卷号: 76, 页码: 53-60 作者: Li, Yaping; Peng, Jiale; Zhou, Yeheng; Li, Penghua; Li, Yingying \| 收藏 \| 浏览/下载：38/0 \| 提交时间：2018/11/12 Checkpoint kinase 1 inhibitor Virtual screening Pharmacophore modeling Molecular docking Molecular dynamics simulations
	Novel Bayesian classification models for predicting compounds blocking hERG potassium channels 期刊论文 OAI收割 ACTA PHARMACOLOGICA SINICA, 2014, 卷号: 35, 期号: 8, 页码: 1093-1102 作者: Liu, Li-li; Lu, Jing; Lu, Yin; Zheng, Ming-yue; Luo, Xiao-min \| 收藏 \| 浏览/下载：38/0 \| 提交时间：2019/01/08 hERG potassium channels long QT syndrome pharmacophore modeling Laplacian-modified Bayesian extended-connectivity fingerprints QSAR
	Identification of diverse dipeptidyl peptidase IV inhibitors via structure-based virtual screening 期刊论文 OAI收割 JOURNAL OF MOLECULAR MODELING, 2012, 卷号: 18, 期号: 9, 页码: 4033-4042 作者: Li, Cui; Lu, Weiqiang; Lu, Chunhua; Xiao, Wen; Shen, Xu \| 收藏 \| 浏览/下载：27/0 \| 提交时间：2019/01/08 Dipeptidyl peptidase IV Molecular docking Pharmacophore modeling Type II diabetes Virtual screening
	Synthesis, Structure-Activity Relationship, and Pharmacophore Modeling Studies of Pyrazole-3-Carbohydrazone Derivatives as Dipeptidyl Peptidase IV Inhibitors 期刊论文 OAI收割 CHEMICAL BIOLOGY & DRUG DESIGN, 2012, 卷号: 79, 期号: 6, 页码: 897-906 作者: Wu, Deyan; Jin, Fangfang; Lu, Weiqiang; Zhu, Jin; Li, Cui \| 收藏 \| 浏览/下载：21/0 \| 提交时间：2019/01/08 dipeptidyl peptidase IV inhibitors molecular docking pharmacophore modeling synthesis
	Investigation on Quantitative Structure Activity Relationships and Pharmacophore Modeling of a Series of mGluR2 Antagonists 期刊论文 OAI收割 international journal of molecular sciences, 2011, 卷号: 12, 期号: 9, 页码: 5999-6023 作者: Zhang, Meng-Qi; Zhang, Xiao-Le; Li, Yan; Fan, Wen-Jia; Wang, Yong-Hua 收藏 \| 浏览/下载：20/0 \| 提交时间：2015/11/12 3D-QSAR mGluR2 antagonist CoMFA CoMSIA pharmacophore modeling
	Structural determinants of steroids for cytochrome P450 3A4-mediated metabolism 期刊论文 OAI收割 journal of molecular structure-theochem, 2004, 卷号: 710, 期号: 1-3, 页码: 215-221 作者: Wang, YH; Han, KL; Yang, SL; Yang, L 收藏 \| 浏览/下载：45/0 \| 提交时间：2010/11/30 CYP3A4 steroids pharmacophore modeling E-state map