Journal: Proc Natl Acad Sci U S A / Year: 2023 Title: A broad-spectrum macrocyclic peptide inhibitor of the SARS-CoV-2 spike protein. Authors: Vito Thijssen / Daniel L Hurdiss / Oliver J Debski-Antoniak / Matthew A Spence / Charlotte Franck / Alexander Norman / Anupriya Aggarwal / Nadia J Mokiem / David A A van Dongen / Stein W ...Authors: Vito Thijssen / Daniel L Hurdiss / Oliver J Debski-Antoniak / Matthew A Spence / Charlotte Franck / Alexander Norman / Anupriya Aggarwal / Nadia J Mokiem / David A A van Dongen / Stein W Vermeir / Minglong Liu / Wentao Li / Marianthi Chatziandreou / Tim Donselaar / Wenjuan Du / Ieva Drulyte / Berend-Jan Bosch / Joost Snijder / Stuart G Turville / Richard J Payne / Colin J Jackson / Frank J M van Kuppeveld / Seino A K Jongkees / Abstract: The ongoing COVID-19 pandemic has had great societal and health consequences. Despite the availability of vaccines, infection rates remain high due to immune evasive Omicron sublineages. Broad- ...The ongoing COVID-19 pandemic has had great societal and health consequences. Despite the availability of vaccines, infection rates remain high due to immune evasive Omicron sublineages. Broad-spectrum antivirals are needed to safeguard against emerging variants and future pandemics. We used messenger RNA (mRNA) display under a reprogrammed genetic code to find a spike-targeting macrocyclic peptide that inhibits SARS-CoV-2 (severe acute respiratory syndrome coronavirus 2) Wuhan strain infection and pseudoviruses containing spike proteins of SARS-CoV-2 variants or related sarbecoviruses. Structural and bioinformatic analyses reveal a conserved binding pocket between the receptor-binding domain, N-terminal domain, and S2 region, distal to the angiotensin-converting enzyme 2 receptor-interaction site. Our data reveal a hitherto unexplored site of vulnerability in sarbecoviruses that peptides and potentially other drug-like molecules can target.
Film or detector model: FEI FALCON IV (4k x 4k) / Number grids imaged: 1 / Number real images: 2612 / Average exposure time: 7.19 sec. / Average electron dose: 49.0 e/Å2
Experimental equipment
Model: Titan Krios / Image courtesy: FEI Company
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Image processing
Particle selection
Number selected: 483282
Startup model
Type of model: INSILICO MODEL
Initial angle assignment
Type: RANDOM ASSIGNMENT / Software - Name: RELION (ver. 3.1.3)
Final 3D classification
Software - Name: RELION (ver. 3.1.3)
Final angle assignment
Type: MAXIMUM LIKELIHOOD / Software - Name: RELION (ver. 3.1.3)
Final reconstruction
Number classes used: 1 / Applied symmetry - Point group: C1 (asymmetric) / Resolution.type: BY AUTHOR / Resolution: 3.2 Å / Resolution method: FSC 0.143 CUT-OFF / Software - Name: RELION (ver. 3.1.3) / Number images used: 38457
FSC plot (resolution estimation)
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