What type of study is this?

This is a Molecular dynamics simulation study.

September 10, 2025

Investigating the Impact of Cholesterol on GP41-Driven HIV Membrane Fusion

Key Points

Cholesterol significantly stabilizes fusion intermediates and reduces energy barriers for HIV membrane fusion.
Molecular dynamics simulations show that cholesterol promotes GP41 aggregation by reducing dimerization free energy.
Enhanced membrane curvatures caused by cholesterol play a pivotal role in facilitating HIV entry.
Findings indicate that cholesterol is essential for understanding HIV infection, guiding potential antiviral approaches.

Abstract

Membrane fusion is a critical step in HIV infection, allowing the virus envelope to merge with the host cell membrane and deliver genetic material. Cholesterol is believed to play a pivotal role in HIV fusion; however, the specific mechanism by which it facilitates membrane fusion remains poorly understood. Our molecular dynamics simulation study elucidates the dual role of cholesterol: it promotes GP41 aggregation by reducing the dimerization free energy and enhances the strengths of the protein-induced membrane curvatures. The free energy calculations reveal that by enhancing membrane curvatures, cholesterol significantly reduces the energy barriers and stabilizes the fusion intermediates. These findings highlight cholesterol's essential role in facilitating HIV entry and offer insights for potential antiviral strategies.

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