ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
This work is a continuation of our previous experimental and theoretical investigations in the field of aminothiol radioprotectors and anticancer drugs. The best known aminothiols are cysteamine and the natural intracellular radioprotector glutathione (GSH). In this study, we present a tentative discussion of similarity in a class of aminothiols such as: cysteamine, methylated cysteamine, cysteine, AET, WR-1065, WR-2578 S, I-102 S, I-143, penicillamine, and GSH, by using the Randić graph topological method. We have used the Randić graph approach by introducing weighting factors for hetero bonds (C—O = x, C—N = y, and C—S = z) involved in the studied aminothiols. In which case, the paths become polynomials in variables x, y, and z. The similarity is discussed versus (x, y, z) values, using similarity matrices, introduced as a set of euclidean distances between a pair of vectors in the n-dimensional vector space of paths or in the n-dimensional vector space of atomic indexes.
Additional Material:
4 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560320818
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