Chemical Insight Into the Influenza A Virus Hemagglutinin Binding to the Sialoside Revealed by the Fragment Molecular Orbital Method

Toshihiko Sawada
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引用次数: 4

Abstract

The present mini-review aims first at an introduction to two thermodynamic essentials of the binding between the influenza A virus hemagglutinin (HA) and the cell surface receptor sialoside, (1) the equilibrium 1:1 binding of the HA with the sialoside, (2) the polyvalent effect of the HA binding to the polyvalent sialoside. Second, the review introduces the fragment molecular orbital (FMO) studies of the HA-sialoside (1:1) complexes. The recent FMO method with the polarizable continuum model as one of the residue-based energy analysis method has revealed the role of key amino acid residue on the selective HA subtype H3 binding to the sialosides.
片段分子轨道法揭示甲型流感病毒血凝素与唾液皂苷结合的化学意义
本综述旨在首先介绍甲型流感病毒血凝素(HA)与细胞表面受体唾液苷结合的两个热力学要素,(1)HA与唾液苷的1:1平衡结合,(2)HA与多价唾液苷结合的多价效应。其次,介绍了ha -唾液苷(1:1)配合物的片段分子轨道(FMO)研究。最近以极化连续体模型作为残基能量分析方法之一的FMO方法揭示了关键氨基酸残基对HA亚型H3选择性结合唾液皂苷的作用。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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