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Interpretation of the antitumour activity of some diacridines
Author(s) -
AbdulAhad P. G.,
Webb G. A.
Publication year - 1982
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560210602
Subject(s) - cndo/2 , steric effects , interpretation (philosophy) , computational chemistry , chemistry , atomic orbital , intercalation (chemistry) , reactivity (psychology) , electronic effect , stereochemistry , molecule , electron , physics , organic chemistry , quantum mechanics , computer science , medicine , alternative medicine , pathology , programming language
Abstract Relationships are formulated in an attempt to explain the variation in the antitumour activity and toxicity of a series of diacridines. Three types of conformation are considered, these being relevant to the three types of double intercalation of DNA. The CNDO /2 method, with the incorporation of symmetry adapted orbitals, is used to obtain electron reactivity indices. Significant correlations are presented between the biological activities and the electronic and steric indices employed.