磺胺多晶的构象和原子间距离。

Revista de farmacia e bioquimica da Universidade de Sao Paulo Pub Date : 1976-07-01

A Korolkovas

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引用次数: 0

摘要

采用CNDO(完全忽略微分重叠)分子轨道方法，计算了磺胺五种多晶型(一水合型、α型、二β型和γ型)的原子间距离和XYZ坐标。由此获得的原子间距离与bell & Roblin最初提出的距离非常接近，并支持了磺胺类药物与对氨基苯甲酸竞争性拮抗的长期算法的作用机制。

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[Conformations and interatomic distances in polymorphs of sulfanilamide].

By CNDO (Complete Neglect of Differential Overlap) molecular orbital method, interatomic distances and XYZ cartesian corrdinates were calculated in five polymorphs (monohydrated, alpha, two beta, and gamma) of sulfanilamide. Interatomic distances thus obtained are very close to those originally presented by Bells & Roblin and support the mechanism of action postulated long algo for sulfa drugs as being competitive antagonism with p-aminobenzoic acid.

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Revista de farmacia e bioquimica da Universidade de Sao Paulo

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