Venue: FIAS Faculty Club

The interdisciplinary FIGSS seminar takes place every second Monday during the semester from 12:00-13:00. PhD students of the Graduate School are given the opportunity to present and discuss their research results here. External speakers are also invited from time to time.

Program on 14.07.2025

Sprecher: Elena Spinetti (AG Covino)

Antibody-binding conformations of the HIV-1 envelope glycoprotein (Env) probed viaall-atom molecular dynamics simulations

Abstract: The HIV-1 envelope glycoprotein Env allows viral entry through membrane fusion and is the sole viral protein exposed to the host immune system. Env’s high genetic variability complicates the development of vaccines targeting its ectodomain. The membrane- proximal external region (MPER), adjacent to the transmembrane domain (TMD), is a promising antibody target due to its relatively low variability. Despite multiple structural studies, the conformation of MPER-TMD remains a topic of debate. In the present work, we investigate the structural dynamics of the HIV-1 Env and its interaction with broadly neutralizing antibodies (bnAbs). Through extensive modeling and molecular dynamics simulations, we reveal that MPER-TMD forms a conical tent-like structure. Additionally, we explain how this arrangement fits within the context of the full protein structure and aligns with experimental results. Our findings provide crucial insights into HIV-1 Env dynamics, bnAb interactions, and potential vaccine design strategies, shedding light on the mechanisms underlying HIV-1 neutralization and membrane fusion processes.

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