[磺胺多晶型物的构象与原子间距离]
[Conformations and interatomic distances in polymorphs of sulfanilamide].
作者信息
Korolkovas A
出版信息
Rev Farm Bioquim Univ Sao Paulo. 1976 Jul-Dec;14(2):109-25.
PMID:1088542
Abstract
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.
摘要
通过全略微分重叠（CNDO）分子轨道方法，计算了磺胺的五种多晶型物（一水合物、α型、两种β型和γ型）中的原子间距离和笛卡尔坐标XYZ。由此获得的原子间距离与贝尔斯和罗布林最初给出的数据非常接近，并支持了长期以来所假定的磺胺类药物的作用机制，即与对氨基苯甲酸的竞争性拮抗作用。
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