Literature DB >> 34127864

A white-knuckle ride of open COVID drug discovery.

Frank von Delft, Mark Calmiano, John Chodera, Ed Griffen, Alpha Lee, Nir London, Tatiana Matviuk, Ben Perry, Matt Robinson, Annette von Delft.   

Abstract

Entities:  

Keywords:  Drug discovery; Medical research; Research management; SARS-CoV-2

Year:  2021        PMID： 34127864     DOI： 10.1038/d41586-021-01571-1

Source DB:  PubMed          Journal:  Nature        ISSN： 0028-0836            Impact factor:   49.962


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  2 in total

1.  Crowdsourcing drug discovery for pandemics.

Authors:  John Chodera; Alpha A Lee; Nir London; Frank von Delft
Journal:  Nat Chem       Date:  2020-07       Impact factor: 24.427

2.  Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.

Authors:  Alice Douangamath; Daren Fearon; Paul Gehrtz; Tobias Krojer; Petra Lukacik; C David Owen; Efrat Resnick; Claire Strain-Damerell; Anthony Aimon; Péter Ábrányi-Balogh; José Brandão-Neto; Anna Carbery; Gemma Davison; Alexandre Dias; Thomas D Downes; Louise Dunnett; Michael Fairhead; James D Firth; S Paul Jones; Aaron Keeley; György M Keserü; Hanna F Klein; Mathew P Martin; Martin E M Noble; Peter O'Brien; Ailsa Powell; Rambabu N Reddi; Rachael Skyner; Matthew Snee; Michael J Waring; Conor Wild; Nir London; Frank von Delft; Martin A Walsh
Journal:  Nat Commun       Date:  2020-10-07       Impact factor: 14.919
  2 in total
  7 in total

1.  CACHE (Critical Assessment of Computational Hit-finding Experiments): A public-private partnership benchmarking initiative to enable the development of computational methods for hit-finding.

Authors:  Suzanne Ackloo; Rima Al-Awar; Rommie E Amaro; Cheryl H Arrowsmith; Hatylas Azevedo; Robert A Batey; Yoshua Bengio; Ulrich A K Betz; Cristian G Bologa; John D Chodera; Wendy D Cornell; Ian Dunham; Gerhard F Ecker; Kristina Edfeldt; Aled M Edwards; Michael K Gilson; Claudia R Gordijo; Gerhard Hessler; Alexander Hillisch; Anders Hogner; John J Irwin; Johanna M Jansen; Daniel Kuhn; Andrew R Leach; Alpha A Lee; Uta Lessel; Maxwell R Morgan; John Moult; Ingo Muegge; Tudor I Oprea; Benjamin G Perry; Patrick Riley; Sophie A L Rousseaux; Kumar Singh Saikatendu; Vijayaratnam Santhakumar; Matthieu Schapira; Cora Scholten; Matthew H Todd; Masoud Vedadi; Andrea Volkamer; Timothy M Willson
Journal:  Nat Rev Chem       Date:  2022-02-15       Impact factor: 34.571

2.  Screening Large Population Health Databases for Potential Coronavirus Disease 2019 Therapeutics: A Pharmacopeia-Wide Association Study of Commonly Prescribed Medications.

Authors:  Derek R MacFadden; Kevin Brown; Sarah A Buchan; Hannah Chung; Rob Kozak; Jeffrey C Kwong; Doug Manuel; Samira Mubareka; Nick Daneman
Journal:  Open Forum Infect Dis       Date:  2022-03-29       Impact factor: 4.423

Review 3.  Antiviral Drug Discovery for the Treatment of COVID-19 Infections.

Authors:  Teresa I Ng; Ivan Correia; Jane Seagal; David A DeGoey; Michael R Schrimpf; David J Hardee; Elizabeth L Noey; Warren M Kati
Journal:  Viruses       Date:  2022-05-04       Impact factor: 5.818

4.  Impact of Warhead Modulations on the Covalent Inhibition of SARS-CoV-2 Mpro Explored by QM/MM Simulations.

Authors:  Sergio Martí; Kemel Arafet; Alessio Lodola; Adrian J Mulholland; Katarzyna Świderek; Vicent Moliner
Journal:  ACS Catal       Date:  2021-12-26       Impact factor: 13.084

5.  Computationally driven discovery of SARS-CoV-2 Mpro inhibitors: from design to experimental validation.

Authors:  Léa El Khoury; Zhifeng Jing; Alberto Cuzzolin; Alessandro Deplano; Daniele Loco; Boris Sattarov; Florent Hédin; Sebastian Wendeborn; Chris Ho; Dina El Ahdab; Theo Jaffrelot Inizan; Mattia Sturlese; Alice Sosic; Martina Volpiana; Angela Lugato; Marco Barone; Barbara Gatto; Maria Ludovica Macchia; Massimo Bellanda; Roberto Battistutta; Cristiano Salata; Ivan Kondratov; Rustam Iminov; Andrii Khairulin; Yaroslav Mykhalonok; Anton Pochepko; Volodymyr Chashka-Ratushnyi; Iaroslava Kos; Stefano Moro; Matthieu Montes; Pengyu Ren; Jay W Ponder; Louis Lagardère; Jean-Philip Piquemal; Davide Sabbadin
Journal:  Chem Sci       Date:  2022-02-10       Impact factor: 9.825

6.  Thermodynamic and structural insights into the repurposing of drugs that bind to SARS-CoV-2 main protease.

Authors:  Shunzhou Wan; Agastya P Bhati; Alexander D Wade; Dario Alfè; Peter V Coveney
Journal:  Mol Syst Des Eng       Date:  2021-11-18

7.  On drug discovery against infectious diseases and academic medicinal chemistry contributions.

Authors:  Yves L Janin
Journal:  Beilstein J Org Chem       Date:  2022-09-29       Impact factor: 2.544
  7 in total

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