𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Quantitative structure–activity study of some enzyme-inhibitory quinazolines

✍ Scribed by P. G. Abdul-Ahad; T. Blair; G. A. Webb

Book ID
104579827
Publisher
John Wiley and Sons
Year
1980
Tongue
English
Weight
528 KB
Volume
17
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

Relationships are formulated to explain the variation in dihydrofolate reductase inhibitory potency for a series of 25 substituted quinazolines, with an antineoplastic potential. Highly significant correlations are obtained using CNDO/2–3R calculated indices and/or the empirically estimated molecular polarizability as independent variables. The MO calculated indices employed are the atomic polarizability, as defined herein, and bond energy. The molecular polarizability is represented by a simple sum of environment independent partial atomic polarizabilities. The partial polarizabilities, reported here for H, C, N, O, F, S, Cl, and Br, are obtained from a multiple regression forced through the origin.

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