Chemical speciation and molecular modelling studies on interaction of cephalothin with metal ions

Citation
Rk. Sharma et al., Chemical speciation and molecular modelling studies on interaction of cephalothin with metal ions, I J CHEM A, 40(6), 2001, pp. 616-618
Citations number
9
Language
INGLESE
art.tipo
Article
Categorie Soggetti
Chemistry
Journal title
INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY
ISSN journal
0376-4710 → ACNP
Volume
40
Issue
6
Year of publication
2001
Pages
616 - 618
Database
ISI
SICI code
0376-4710(200106)40:6<616:CSAMMS>2.0.ZU;2-8
Abstract
Chemical speciation and molecular modelling studies have been carried out f or accessing the interaction of metal ions with cephalothin and distributio n of metal cephalothin species in biological fluids. Chemical speciation ha s been carried out using the program BEST and SPE and the method of Bjerrum and Calvin, as modified by Irving and Rossotti has been used to find out t he values of stability constants. The: order of stability constants for met al complexes is found to be: Mg(II) < Mn(II) < Co(II) < Cd(II) < Zn(II) < Ni(II) < Cu(II) Molecular mode lling studies have been carried out by using HyperChem Suite release 5.1 Pr ofessional Version for molecular modelling studies. It is found that Zn(II) binds to cephalothin through the nitrogen of dihydrothiazine ring and carb oxylate group at C-4.