A DFT Study of Model Complexes of Zinc Hydrolases and Their Inhibition by Hydroxamic Acids

DFT calculations carried out on zinc acetate and zinc hydroxamates using the Hartree−Fock and B3LYP methods with the 6-311+G* basis set give a series of stable pseudotetrahedral chelates (ZnL2) (L = OAc, FA, AA, NMeAA, GA, SA). Addition of a water molecule to these chelates gives the hydrates, ZnL2·...

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Veröffentlicht in:	Inorganic chemistry 2004-01, Vol.43 (1), p.297-302
Hauptverfasser:	Brown, David A, Cuffe, Laurence P, Fitzpatrick, Noel J, Ryan, Áine T
Format:	Artikel
Sprache:	eng
Schlagworte:	Chelating Agents - chemistry Enzyme Inhibitors - chemistry Enzyme Inhibitors - pharmacology Hydrogen Bonding Hydrolases - antagonists & inhibitors Hydrolases - chemistry Hydroxamic Acids - chemistry Hydroxamic Acids - pharmacology Models, Molecular Zinc - chemistry
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