QSAR of aromatic substances: EGFR inhibitory activity of quinazoline analogues.

Abstract:

:The flip regression procedure that we used earlier for handling the xanthones system has been applied to phenylaminoquinazoline analogues. It is known that the substituents at the 6- and 7- positions of the polycyclic system have been identified as the most important structural features. The steric as well as the electrostatic interactions proved to be the most important for the inhibitory effect. In this contribution it is shown that the orientation of nodes in their occupied pi orbitals, and also the energies of these orbitals explains a further large portion of the variance in their inhibitory activity.

authors

Deeb O,Clare BW

doi

10.1080/14756360701608726

subject

Has Abstract

pub_date

2008-12-01 00:00:00

pages

763-75

issue

6

eissn

1475-6366

issn

1475-6374

pii

793954623

journal_volume

23

pub_type

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