TY - JOUR T1 - Relationships of the molecular structure of aldosterone derivatives with their binding affinity for mineralocorticoid receptor. JF - Molecular Pharmacology JO - Mol Pharmacol SP - 585 LP - 589 VL - 30 IS - 6 AU - M Yamakawa AU - K Ezumi AU - M Shiro AU - H Nakai AU - S Kamata AU - T Matsui AU - N Haga Y1 - 1986/12/01 UR - http://molpharm.aspetjournals.org/content/30/6/585.abstract N2 - The molecular structures of 19-nor-11-deoxycorticosterone (III) and 21-hydroxypregna-4,11-diene-3,20-dione (IV) were determined by X-ray crystallographic analysis and the factors affecting the binding affinities for the mineralocorticoid receptor were examined with six aldosterone derivatives (I-VI) containing these two compounds. The most important factor was found to be the steric one; affinity increased with increasing flatness of the structure. The electronic factor may be a minor influence although a good relationship was found between the affinity and the 13C-NMR chemical shift of the C(5) atom. The factor playing no role in the binding is the hydrophobic one. ER -