Use of density functional calculations to predict the regioselectivity of drugs and molecules metabolized by aldehyde oxidase

Journal article

Peer reviewed

Rhonda A TORRES, Kenneth R KORZEKWA, Daniel R MCMASTERS, Christine M FANDOZZI and Jeffrey P JONES

Journal of medicinal chemistry, Vol.50(19), pp.4642-4647

2007

Handle:

https://hdl.handle.net/2376/117106

PMID: 17718551

Abstract

Fundamental and applied biological sciences. Psychology

Miscellaneous

Analytical, structural and metabolic biochemistry

Enzymes and enzyme inhibitors

Pharmacology. Drug treatments

Biological and medical sciences

Oxidoreductases

Medical sciences

11 Record Views

Title: Use of density functional calculations to predict the regioselectivity of drugs and molecules metabolized by aldehyde oxidase
Creators: Rhonda A TORRES - Department of Molecular Systems, Merck Research Laboratories, Rahway, New Jersey 07065, United States
Kenneth R KORZEKWA - Department of Chemistry, Washington State University, Pullman, Washington 99164, United States
Daniel R MCMASTERS - Department of Molecular Systems, Merck Research Laboratories, Rahway, New Jersey 07065, United States
Christine M FANDOZZI - Department of Chemistry, Washington State University, Pullman, Washington 99164, United States
Jeffrey P JONES - Department of Drug Metabolism, Merck Research Laboratories, West Point, Pennsylvania 19468, United States
Publication Details: Journal of medicinal chemistry, Vol.50(19), pp.4642-4647
Academic Unit: Chemistry, Department of
Publisher: American Chemical Society; Washington, DC
Identifiers: 99900548381701842
Language: English
Resource Type: Journal article