Pharmacological descriptors related to the binding of Gp120 to CD4 corresponding to 60 representative HIV-1 strains

被引：4

作者：

Calborean, Octavian ^{[1
]}

Mernea, Maria ^{[1
]}

Avram, Speranta ^{[1
]}

Mihailescu, Dan Florin ^{[1
]}

机构：

[1] Univ Bucharest, Fac Biol, Dept Anat Anim Physiol & Biophys, R-050095 Bucharest, Romania

来源：

JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY | 2013年 / 28卷 / 05期

关键词：

HIV-1; strains; gp120; CD4-binding site; homology modelling; pharmacological descriptors; DISTRIBUTIONS; ANTIBODIES; PROTEINS; VOLUME;

D O I：

10.3109/14756366.2012.705836

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

The standardization of HIV-1 strains for vaccine tests include the use of viral reference panels. We determined a series of pharmacological descriptors (molecular surfaces, volumes, electrostatic energies, solvation energies, number of atoms, number of hydrogen donors or acceptors and number of rigid bonds) for the gp120 CD4-binding sites structures in the unliganded state from a reference panel of 60 diverse strains of HIV-1. We identified the descriptors that varied significantly between the strains, the outliner strains for each descriptor set and the possible correlations between the descriptors. Our results improve the knowledge about gp120, its molecular and possible neutralization properties.

引用

页码：1015 / 1025

页数：11

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