STRUCTURE-ACTIVITY

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A Strategy to Find Novel Candidate DKAs Inhibitors Using Modified QSAR Model with Favorable Druggability Properties
《Chemical Research in Chinese Universities》2019年第6期1111-1118,共8页ZHANG Xiaoyi NIU Wenling TANG Tang HOU Chengfei GUO Yajie KONG Ren 
Supported by the Project of the Beijing Municipal Commission of Education,China(No.KM201410005030);the Importation and Development of High-caliber Talents Project of Beijing Municipal Institutions,China;the National Natural Science Foundation of China(No.31100523).
The study dealed with quantitative structure-activity relationship(QSAR)to explore the important features of diketo acid(DKA)derivatives for exerting potent HIV-1 integrase inhibitors activity.A three-step screening m...
关键词：Diketo acid(DKA) MODIFIED quantitative STRUCTURE-ACTIVITY relationship(QSAR) AUTODOCK Drug design DESCRIPTOR screening 
Combined QSAR/QSPR, Molecular Docking, and Molecular Dynamics Study of Environmentally Friendly PBDEs with Improved Insulating Properties
《Chemical Research in Chinese Universities》2019年第3期478-484,共7页LIU Sicheng SUN Shijun 
To improve the insulating properties of polybrominated diphenyl ethers(PBDEs), we studied the molecular structures and energy gap(Eg) values of 209 PBDEs using a three-dimensional quantitative structure-activity relat...
关键词：Polybrominated DIPHENYL ETHER High insulation Tliree-dimensional quantitative STRUCTURE-ACTIVITY relationship MOLECULAR DOCKING MOLECULAR dynamics MOLECULAR modification 
Synthesis and Biological Evaluation of Hydroxylcoumarin Derivatives as Antioxidant Agents被引量：2
《Chemical Research in Chinese Universities》2017年第2期194-199,共6页CHEN Chen WANG Ping ZOU Liwei YANG Ling FAN Yiming HU Wenzhong GE Guangbo 
In this study, esculetin（1） was chosen as a lead compound and some structural modifications weredesigned to explore the antioxidant activities of esculetin derivatives. Meanwhile, a convenient method for selectiveme...
关键词：Hydroxylcoumarm ANTIOXIDANT activity RADICAL SCAVENGING effect STRUCTURE-ACTIVITY RELATIONSHIP 
Synthesis, Antitumor Activity and Preliminary Structure-activity Relationship of 2-Aminothiazole Derivatives被引量：3
《Chemical Research in Chinese Universities》2016年第6期929-937,共9页LI Hongshuang WANG Xinran DUAN Guiyun XIA Chengcai XIAO Yuliang LI Furong GE Yanqing YOU Guirong HAN Junfen FU Xiaopan 
In this paper, we described the synthesis of 2-aminoflfiazole sublibrary containing methyl, bromo, phenylor butylidene at 4- or/and 5-position of its core. All target compounds were evaluated tbr their antitumor activ...
关键词：2-Aminotlfiazole ANTITUMOR activity STRUCTURE-ACTIVITY RELATIONSHIP 
Design, Synthesis and Structure-activity of N-Glycosyl-l-pyridyl-lH-pyrazole-5-carboxamide as Inhibitors of Calcium Channels
《Chemical Research in Chinese Universities》2013年第2期249-255,共7页ZHOU Yun-yun LI Yu-xin LI Yi-ming YANG Xiao-ping MAO Ming-zhen LI Zheng-ming 
Supported by the National Basic Research Program of China（No.2010CB126106）, the National Natural Science Foundation of China（No.31000861）, the Tianj in Natural Science Foundation, China（No. 11JCYBJC08600） and the National Key Technologies R＆D Program of China（No.2011BAE06B05）.
Carbohydrates, with broad-spectrum structures and biological functions, are key organic compounds in nature, along with nucleic acids and proteins. As part of our ongoing efforts to develop a new class of pesticides w...
关键词：N-Glycosyl PYRIDYL PYRAZOLE Insecticidal activity Calcium channel 
Quantitative Studies on Structure－Activity Relationships （QSAR） of Cytokinin－Active Phenyl Urea Derivatives（PUD）被引量：1
《Chemical Research in Chinese Universities》1995年第4期291-298,共8页QIAO Li-xin LI Zheng-ming YANG Hua-zheng ZHAO Zhong-ren and ZHANG Dian-kun(Research Institute of Elemento-Organic Chemistry, Nankai University,Tianjin, 300071)LAI Cheng-ming(Department of Chemistry,Nankai University,Tianjin,300071) 
he quantitative studies on structure and cytokinin activity of the cucumber cotyledon expansion reiationshps of 35 urea compounds were conducted using pl1ysico-chemical parameters of the substituents and regression an...
关键词：SAR Cytokinin-active Phenyl areas 
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