Rapid prediction of chemical metabolism by human UDP-glucuronosyltransferase isoforms using quantum chemical descriptors derived with the electronegativity equalization method.
Sorich
Michael J
MJ
School of Pharmacy and Medical Sciences, University of South Australia, Frome Road, Adelaide, SA 5000, Australia. michael.sorich@unisa.edu.au
McKinnon
Ross A
RA
Miners
John O
JO
Winkler
David A
DA
Smith
Paul A
PA
D004560:Electricity; D020719:Glucuronides / Q000737:chemistry* / Q000378:metabolism; D014453:Glucuronosyltransferase / Q000737:chemistry* / Q000378:metabolism; D006801:Humans; D007527:Isoenzymes / Q000737:chemistry / Q000378:metabolism; D008954:Models, Biological; D004364:Pharmaceutical Preparations / Q000737:chemistry* / Q000378:metabolism; D011789:Quantum Theory; D013329:Structure-Activity Relationship
D020719:Glucuronides; D007527:Isoenzymes; D004364:Pharmaceutical Preparations; D014453:Glucuronosyltransferase