STUDIES ON THE QUANTITATIVE STRUCTURE-ACT IVITY RELATIONSHIP OF 8-SUBSTITUTED-6-FLUORO-1,4-DIHYDRO-OXO-3-QUINOLINE ACID BY COMPARATIVE MOLECULAR-FIELD ANALYSIS

Authors
ZHU LG YU QS CHEN KX LIN RS CAI GQ
Citation
Lg. Zhu et al., STUDIES ON THE QUANTITATIVE STRUCTURE-ACT IVITY RELATIONSHIP OF 8-SUBSTITUTED-6-FLUORO-1,4-DIHYDRO-OXO-3-QUINOLINE ACID BY COMPARATIVE MOLECULAR-FIELD ANALYSIS, Gaodeng xuexiao huaxue xuebao, 16(10), 1995, pp. 1592-1596
Citations number
8
Categorie Soggetti
Chemistry
Journal title
Gaodeng xuexiao huaxue xuebao → ACNP
ISSN journal
02510790
Volume
16
Issue
10
Year of publication
1995
Pages
1592 - 1596
Database
ISI
SICI code
0251-0790(1995)16:10<1592:SOTQSI>2.0.ZU;2-Y
Abstract
In this paper, we studied the quantitative structure-activity relation ship(QSAR) of 1-cyclopropyl-5, 7, 8-substituted-6-fluoro-1, 4-dihydrog en-4-oxo-3-quinoline acid with CoMFA(Comparative Molecular Field Analy sis) of 3D-QSAR, The probe C-sp(+3) and a 20 nm separation between the lattice points is the best CoMFA model which has a very good predicti on, We designed some new compounds and calculated their activities fro m CoMFA coefficient plots, The activity of restraining the Gram-positi ve organism of some compounds is higher than that of synthesized compo unds.