PREDICTION OF THE GTPASE ACTIVITIES BY USING THE SEMIEMPIRICAL MOLECULAR-ORBITAL THEORY

Authors
KINOSHITA H SHIMIZU K
Citation
H. Kinoshita et K. Shimizu, PREDICTION OF THE GTPASE ACTIVITIES BY USING THE SEMIEMPIRICAL MOLECULAR-ORBITAL THEORY, Bioorganic & medicinal chemistry letters, 8(9), 1998, pp. 1083-1088
Citations number
12
Categorie Soggetti
Chemistry Inorganic & Nuclear","Chemistry Medicinal
Journal title
Bioorganic & medicinal chemistry letters → ACNP
ISSN journal
0960894X
Volume
8
Issue
9
Year of publication
1998
Pages
1083 - 1088
Database
ISI
SICI code
0960-894X(1998)8:9<1083:POTGAB>2.0.ZU;2-Z
Abstract
Assuming that substrate-assisted catalysis is the mechanism of GTP hyd rolysis for ras p21 and other GTP-binding proteins,(1)) we used the PM 3 semiempirical molecular orbital method to predict from the calculate d reaction profiles of GTP hydrolysis reactions the changes in GTPase activities caused by mutations. We succeeded in making qualitative pre dictions for mutants. (C) 1998 Elsevier Science Ltd. All rights reserv ed.