Cyclodextrin-piroxicam inclusion complexes: analyses by mass spectrometry and molecular modelling

被引:30
作者
Gallagher, RT [1 ]
Ball, CP
Gatehouse, DR
Gates, PJ
Lobell, M
Derrick, PJ
机构
[1] Hunting Life Sci, Huntington PE18 6ES, Cambs, England
[2] Univ Warwick, Inst Mass Spectrometry, Coventry CV4 7AL, W Midlands, England
[3] Univ Warwick, Dept Chem, Coventry CV4 7AL, W Midlands, England
关键词
cyclodextrin; piroxicam; inclusion complex; non-covalent interaction; molecular modelling;
D O I
10.1016/S0168-1176(97)00178-X
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
Mass spectrometry has been used to investigate the natures of non-covalent complexes formed between the anti-inflammatory drug piroxicam and alpha-, beta- and gamma-cyclodextrins, Energies of these complexes have been calculated by means of molecular modelling. There is a correlation between peak intensities in the mass spectra and the calculated energies. (C) 1997 Elsevier Science B.V.
引用
收藏
页码:523 / 531
页数:9
相关论文
共 29 条
[1]  
ALLEN FH, 1993, CHEM DESIGN AUTOMATI, V8, P30
[2]   MOLECULAR-COMPLEXES OF CYCLODEXTRINS - APPLICATION OF ION-SPRAY MASS-SPECTROMETRY TO THE STUDY OF COMPLEXES WITH SELECTED NITRAMINES [J].
BAKHTIAR, R ;
BULUSU, S .
RAPID COMMUNICATIONS IN MASS SPECTROMETRY, 1995, 9 (14) :1391-1394
[3]   PIROXICAM MONOHYDRATE - A ZWITTERIONIC FORM, C15H13N3O4S.H2O [J].
BORDNER, J ;
RICHARDS, JA ;
WEEKS, P ;
WHIPPLE, EB .
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 1984, 40 (JUN) :989-990
[4]   PIROXICAM - A REAPPRAISAL OF ITS PHARMACOLOGY AND THERAPEUTIC EFFICACY [J].
BROGDEN, RN ;
HEEL, RC ;
SPEIGHT, TM ;
AVERY, GS .
DRUGS, 1984, 28 (04) :292-323
[5]   SYNTHESIS AND X-RAY CRYSTAL-STRUCTURE OF BETA-CYCLODEXTRIN DICLOFENAC SODIUM UNDECAHYDRATE, A BETA-CD COMPLEX WITH A UNIQUE CRYSTAL PACKING ARRANGEMENT [J].
CAIRA, MR ;
GRIFFITH, VJ ;
NASSIMBENI, LR ;
VANOUDTSHOORN, B .
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1994, (09) :1061-1062
[6]   FALSE POSITIVES AND THE DETECTION OF CYCLODEXTRIN INCLUSION COMPLEXES BY ELECTROSPRAY MASS-SPECTROMETRY [J].
CUNNIFF, JB ;
VOUROS, P .
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY, 1995, 6 (05) :437-447
[7]  
EVANS S, 1995, ORG MASS SPECTROM, V28, P289
[8]   ION-SOURCE FOR LIQUID MATRIX SECONDARY IONIZATION MASS-SPECTROMETRY [J].
FALICK, AM ;
WANG, GH ;
WALLS, FC .
ANALYTICAL CHEMISTRY, 1986, 58 (07) :1308-1311
[9]  
FLETCHER DA, 1996, CHEM INF COMPUT SCI, V36, P746