Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking

Abstract

Massive fragment screening effort provides a foundation for the development of macrodomain inhibitors as novel antiviral agents.

Document Details

Document Type
Pub Defense Publication
Publication Date
Apr 16, 2021
Source ID
10.1126/sciadv.abf8711

Entities

People

  • Ailsa Powell
  • Aina E Cohen
  • Alan Ashworth
  • Alexandre Dias
  • Alexei S Soares
  • Alice Douangamath
  • Anthony Aimon
  • Aye C Thwin
  • Brian K. Shoichet
  • Clyde A Smith
  • Daren Fearon
  • Dominique H. Smith
  • Frank von Delft
  • G. Meigs
  • Galen J Correy
  • Gregory E Merz
  • Huong Q Tran
  • Iris D Young
  • Ishan Deshpande
  • Ivan Ahel
  • James M Bennett
  • James M Holton
  • James S Fraser
  • Jason E Gestwicki
  • Jennifer L Wierman
  • Jessica K Peters
  • Johannes Gregor Matthias Rack
  • John J Irwin
  • José Brandão-Neto
  • Justin T Biel
  • Kang Zhu
  • Louise Dunnett
  • Luan Carvalho Martins
  • Marion Schuller
  • Martin R Fuchs
  • Matteo P Ferla
  • Michael C Thompson
  • Michael G. Johnson
  • Michelle Moritz
  • Nadia Herrera
  • Natalia Jura
  • Oleg Fedorov
  • Peter O'Brien
  • Qcrg Structural Biology Consortium
  • Rachael Elaine Skyner
  • Roberto Efrain Diaz
  • Silvia Russi
  • Stefan Gahbauer
  • Taiasean Wu
  • Tobias Krojer
  • Tristan W Owens
  • Tyler Gorrie-Stone
  • Ursula Schulze-Gahmen
  • Victor L Rangel

Organizations

  • Biotechnology and Biological Sciences Research Council
  • Brookhaven National Laboratory
  • Cancer Research UK
  • Defense Advanced Research Projects Agency
  • Diamond Light Source
  • Federal University of Minas Gerais
  • Lawrence Berkeley National Laboratory
  • National Institutes of Health
  • National Science Foundation
  • Stanford Synchrotron Radiation Lightsource
  • University of California
  • University of California, San Francisco
  • University of Johannesburg
  • University of Oxford
  • University of São Paulo
  • University of York
  • Wellcome

Tags

Fields of Study

  • Chemistry