14. Juli 2025 12:00 Uhr / Studierende
FIGSS Seminar: Antibody-binding conformations of the HIV-1 envelope glycoprotein (Env) probed viaall-atom molecular dynamics simulations
Interdisziplinäres Seminar für Promovierende und Studierende am FIAS
Veranstaltungsort: FIAS Faculty Club
Das interdisziplinäre FIGSS Seminar findet während des Semesters jeden zweiten Montag von 12:00-13:00 statt. Die Promovierenden der Graduiertenschule erhalten hier die Möglichkeit, ihre Forschungsergebnisse vorzustellen und zu diskutieren. Von Zeit zu Zeit werden auch externe Sprecher eingeladen.
Programm am 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.