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:
We present models for the interaction of glucocorticoids: dexamethasone (DEX), dexamethasone-21-mesylate (DEXM) and deacylcortivazol (DAC) with the hexanucleotide sequence d(TGTTCT)2 (CORE sequence) found in the long terminal repeat of MMTV. These models are obtained by computer-aided geometry simulation with energy minimization technique, making use of the empirical potential energy functions. We have considered both intercalative and nonintercalative binding. Differences in the glucocorticoid activity of these steroids are explained on the basis of stereochemical and energetic differences. A model is proposed for interaction of the steroid-receptor complex with the hormone-responsive element (HRE).
Additional Material:
6 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560340715
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