DFT study and quantitative structure-activity relationship for cephalosporin derivatives

被引：0
|
作者：
College of Chemistry and Chemical Engineering, Shandong University, Jinan 250100, China [1 ]
机构：
来源：
Kao Teng Hsueh Hsiao Hua Heush Hsueh Pao | 2007年 / 4卷 / 696-699期
关键词：
D O I：
暂无
中图分类号：
学科分类号：
摘要：
The molecular structures of nine kinds of cephalosporin derivatives were optimized by using density functional theory(DFT)B3LYP method of quantum chemistry, and the quantitative structure-activity relationship of these cephalosporin derivatives was systematically studied. The structure-activity model of cephalosporin derivatives was found: QC8, QC7, dipole had positive correlation on the activities of cephalosporin derivatives.
引用
下载
收藏
页码：696 / 699
相关论文
共 50 条
  • [31] Quantitative Structure-Activity Relationship (QSAR) Study of a Series of Benzimidazole Derivatives as Inhibitors of Saccharomyces Cerevisiae
    Podunavac-Kuzmanovic, Sonja O.
    Cvetkovic, Dragoljub D.
    Jevric, Lidija R.
    Uzelac, Natasa J.
    ACTA CHIMICA SLOVENICA, 2013, 60 (01) : 26 - 33
  • [32] QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP STUDY ON HEXESTROL AND METAHEXESTROL DERIVATIVES INTERACTING WITH ESTROGEN-RECEPTORS
    GUPTA, SP
    HANDA, A
    RESEARCH COMMUNICATIONS IN CHEMICAL PATHOLOGY AND PHARMACOLOGY, 1987, 55 (03): : 357 - 366
  • [33] Modeling of the anticancer action for radical derivatives of nitroazoles: Quantitative structure-activity relationship (QSAR) study
    Khlebnikov, A
    Schepetkin, I
    Kwon, BS
    CANCER BIOTHERAPY AND RADIOPHARMACEUTICALS, 2002, 17 (02) : 193 - 203
  • [34] Structure-Activity Relationship of Niclosamide Derivatives
    Tang, Zhonghai
    Acuna, Ulyana Munoz
    Fernandes, Nelson Freitas
    Chettiar, Somsundaram
    Li, Pui-Kai
    De Blanco, Esperanza Carcache
    ANTICANCER RESEARCH, 2017, 37 (06) : 2839 - 2843
  • [35] Application of Hansch's model to guaianolide ester derivatives:: A quantitative structure-activity relationship study
    Macías, FA
    Velasco, RF
    Castellano, D
    Galindo, JCG
    JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 2005, 53 (09) : 3530 - 3539
  • [36] A Quantitative Structure-Activity Relationship (QSAR) study of the antioxidant activity of flavonoids
    Rasulev, BF
    Abdullaev, ND
    Syrov, VN
    Leszczynski, J
    QSAR & COMBINATORIAL SCIENCE, 2005, 24 (09): : 1056 - 1065
  • [37] Quantitative structure-activity relationship study on antitumour activity of a series of flavonoids
    Wang, Wei-Xuan
    Si, Hongzong
    Zhang, Ziding
    MOLECULAR SIMULATION, 2012, 38 (01) : 38 - 44
  • [38] Relationships between the structure, cytotoxicity and hydrophobicity of quinazoline derivatives by quantitative structure-activity relationship
    Jantova, S
    Balaz, S
    Stankovsky, S
    Spirkova, K
    Lukacova, V
    FOLIA BIOLOGICA, 1997, 43 (02) : 83 - 89
  • [39] Studies on the Quantitative Structure-activity Relationship of Substituted Biphenyls by Density Function Theory (DFT)
    HAN Xiang-Yun ② ZHENG Qing (Department of Chemical Engineering
    Chinese Journal of Structural Chemistry, 2007, (02) : 229 - 233
  • [40] Studies on the Quantitative Structure-activity Relationship of Substituted Biphenyls by Density Function Theory (DFT)
    HAN XiangYun ZHENG Qing Department of Chemical Engineering Yancheng Institute of Technology Jiangsu China
    结构化学, 2007, (02) : 229 - 233
12345