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Updated: Jan 10, 2026
07:10
Conformational Evaluation of HIV-1 Trimeric Envelope Glycoproteins Using a Cell-based ELISA Assay
Published on: September 14, 2014
14.7K
Conformational Variability of HIV-1 Env Trimer and Viral Vulnerability.
1Department of Biological Sciences, Lehigh University, 111 Research Dr, Bethlehem, PA 18015, USA.
Biorxiv : the Preprint Server for Biology
|November 24, 2025
Summary
This study models the full-length HIV-1 envelope glycoprotein (Env) trimer, revealing ectodomain rigidity and MPER flexibility that aids receptor engagement. The transmembrane domain
Area of Science:
- Structural biology
- Virology
- Computational biophysics
Background:
- HIV-1 envelope glycoprotein (Env) is crucial for viral entry and a key target for therapeutics.
- Previous studies focused on soluble Env fragments or separate domains (ectodomain, transmembrane domain).
- The membrane-proximal external region (MPER) and cytoplasmic tail (CT) of Env are understudied.
Purpose of the Study:
- To investigate the full-length, glycosylated gp120-gp41 trimer as a complete entity.
- To understand the structural flexibility and dynamics of the complete HIV-1 Env trimer.
- To explore the role of MPER, TMD, and CT in viral fusion and entry.
Main Methods:
- Construction of a full-length, glycosylated gp120-gp41 trimer model.
- Embedding the model in a lipid bilayer.
- Performing all-atom molecular dynamics simulations.
- Analyzing simulation trajectories to assess structural dynamics and epitope accessibility.
Main Results:
- The Env ectodomain exhibits a stable, rigid prefusion structure.
- MPER flexibility allows tilted orientations, potentially aiding receptor binding.
- TMD conformational variability, influenced by R696 interactions, may facilitate viral fusion.
- Simulation data enables evaluation of antibody epitope accessibility.
Conclusions:
- The complete HIV-1 Env trimer possesses intrinsic flexibility crucial for its function.
- Understanding the dynamics of MPER and TMD is vital for developing effective HIV vaccines and antivirals.
- Molecular dynamics simulations provide valuable insights into Env structure-function relationships and epitope accessibility.
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