Unknown

Dataset Information

0

Small-Molecule CD4-Mimics: Structure-Based Optimization of HIV-1 Entry Inhibition.

ABSTRACT: The optimization, based on computational, thermodynamic, and crystallographic data, of a series of small-molecule ligands of the Phe43 cavity of the envelope glycoprotein gp120 of human immunodeficiency virus (HIV) has been achieved. Importantly, biological evaluation revealed that the small-molecule CD4 mimics (4-7) inhibit HIV-1 entry into target cells with both significantly higher potency and neutralization breadth than previous congeners, while maintaining high selectivity for the target virus. Their binding mode was characterized via thermodynamic and crystallographic studies.

SUBMITTER: Melillo B 

PROVIDER: S-EPMC4789667 | biostudies-literature | 2016 Mar

REPOSITORIES: biostudies-literature

Json Xml
altmetric image

Publications

The optimization, based on computational, thermodynamic, and crystallographic data, of a series of small-molecule ligands of the Phe43 cavity of the envelope glycoprotein gp120 of human immunodeficiency virus (HIV) has been achieved. Importantly, biological evaluation revealed that the small-molecule CD4 mimics (4-7) inhibit HIV-1 entry into target cells with both significantly higher potency and neutralization breadth than previous congeners, while maintaining high selectivity for the target vi  ...[more]

Similar Datasets

Unknown Design, synthesis and evaluation of small molecule CD4-mimics as entry inhibitors possessing broad spectrum anti-HIV-1 activity.
| S-EPMC5079829 | biostudies-literature
Unknown Structure-based design, synthesis and validation of CD4-mimetic small molecule inhibitors of HIV-1 entry: conversion of a viral entry agonist to an antagonist.
| S-EPMC3993944 | biostudies-literature
Unknown Small-molecule CD4 mimics interact with a highly conserved pocket on HIV-1 gp120.
| S-EPMC2597202 | biostudies-literature
Unknown Structure-based design, synthesis, and characterization of dual hotspot small-molecule HIV-1 entry inhibitors.
| S-EPMC3376652 | biostudies-literature
Unknown Discovery and optimization of novel small-molecule HIV-1 entry inhibitors using field-based virtual screening and bioisosteric replacement.
| S-EPMC4355043 | biostudies-literature
Unknown Structure-Based Design of a Small Molecule CD4-Antagonist with Broad Spectrum Anti-HIV-1 Activity.
| S-EPMC4676410 | biostudies-literature
Unknown Inhibition of ErbB2(Her2) expression with small molecule transcription factor mimics.
| S-EPMC2782467 | biostudies-literature
Unknown A novel small-molecule inhibitor of HIV-1 entry.
| S-EPMC4598220 | biostudies-literature
Unknown Structure Optimization of Aloperine Derivatives as HIV-1 Entry Inhibitors.
| S-EPMC5683702 | biostudies-literature
Unknown Lattice engineering enables definition of molecular features allowing for potent small-molecule inhibition of HIV-1 entry.
| S-EPMC6318274 | biostudies-literature