THE FREE-ENERGY CHANGE OF RESTRICTING A BOND ROTATION IN THE BINDING OF PEPTIDE ANALOGS TO VANCOMYCIN GROUP ANTIBIOTICS

被引:24
作者
GERHARD, U [1 ]
SEARLE, MS [1 ]
WILLIAMS, DH [1 ]
机构
[1] UNIV CAMBRIDGE,CAMBRIDGE CTR MOLEC RECOGNIT,CHEM LAB,LENSFIELD RD,CAMBRIDGE CB2 1EW,ENGLAND
关键词
D O I
10.1016/S0960-894X(00)80670-8
中图分类号
R914 [药物化学];
学科分类号
100701 ;
摘要
The adverse cost in free energy of restricting an internal bond rotation in the binding of the peptide ligands N-succinyl-D-alanine and N-fumaryl-D-alanine to the antibiotic Ristocetin A, has been estimated to be 3.7+/-0.9 kJ mol-1 per rotor by comparison of the difference in free energies of binding measured by UV spectrometry.
引用
收藏
页码:803 / 808
页数:6
相关论文
共 7 条
  • [1] AVERAGE STRUCTURES OF BUTADIENE ACROLEIN AND GLYOXAL DETERMINED BY GAS ELECTRON DIFFRACTION AND SPECTROSCOPY
    KUCHITSU, K
    FUKUYAMA, T
    MORINO, Y
    [J]. JOURNAL OF MOLECULAR STRUCTURE, 1968, 1 (06) : 463 - &
  • [2] MARTELL AE, 1977, CRITICAL STABILITY C, V3, P108
  • [3] MASKILL H, 1985, PHYSICAL BASIS ORGAN, P77
  • [4] MACROMODEL - AN INTEGRATED SOFTWARE SYSTEM FOR MODELING ORGANIC AND BIOORGANIC MOLECULES USING MOLECULAR MECHANICS
    MOHAMADI, F
    RICHARDS, NGJ
    GUIDA, WC
    LISKAMP, R
    LIPTON, M
    CAUFIELD, C
    CHANG, G
    HENDRICKSON, T
    STILL, WC
    [J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1990, 11 (04) : 440 - 467
  • [5] BOND LENGTHS AND BOND ENERGIES IN CONJUGATION AND HYPERCONJUGATION
    MULLIKEN, RS
    [J]. TETRAHEDRON, 1959, 6 (01) : 68 - 87
  • [6] SEARLE MS, UNPUB J AM CHEM SOC
  • [7] STREITWIESER JR, 1961, MOL ORBITAL THEORY, P165