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Computationally driven discovery of SARS-CoV-2 Mpro inhibitors: from design to experimental validation.
El Khoury, Léa; Jing, Zhifeng; Cuzzolin, Alberto; Deplano, Alessandro; Loco, Daniele; Sattarov, Boris; Hédin, Florent; Wendeborn, Sebastian; Ho, Chris; El Ahdab, Dina; Jaffrelot Inizan, Theo; Sturlese, Mattia; Sosic, Alice; Volpiana, Martina; Lugato, Angela; Barone, Marco; Gatto, Barbara; Macchia, Maria Ludovica; Bellanda, Massimo; Battistutta, Roberto; Salata, Cristiano; Kondratov, Ivan; Iminov, Rustam; Khairulin, Andrii; Mykhalonok, Yaroslav; Pochepko, Anton; Chashka-Ratushnyi, Volodymyr; Kos, Iaroslava; Moro, Stefano; Montes, Matthieu; Ren, Pengyu; Ponder, Jay W; Lagardère, Louis; Piquemal, Jean-Philip; Sabbadin, Davide.
Afiliación
  • El Khoury L; Qubit Pharmaceuticals, Incubateur Paris Biotech Santé 24 Rue du Faubourg Saint Jacques 75014 Paris France davide@qubit-pharmaceuticals.com.
  • Jing Z; Qubit Pharmaceuticals, Incubateur Paris Biotech Santé 24 Rue du Faubourg Saint Jacques 75014 Paris France davide@qubit-pharmaceuticals.com.
  • Cuzzolin A; Chiesi Farmaceutici S.p.A, Nuovo Centro Ricerche Largo Belloli 11a 43122 Parma Italy.
  • Deplano A; Pharmacelera, Torre R, 4a planta Despatx A05, Parc Cientific de Barcelona, Baldiri Reixac 8 08028 Barcelona Spain.
  • Loco D; Qubit Pharmaceuticals, Incubateur Paris Biotech Santé 24 Rue du Faubourg Saint Jacques 75014 Paris France davide@qubit-pharmaceuticals.com.
  • Sattarov B; Qubit Pharmaceuticals, Incubateur Paris Biotech Santé 24 Rue du Faubourg Saint Jacques 75014 Paris France davide@qubit-pharmaceuticals.com.
  • Hédin F; Qubit Pharmaceuticals, Incubateur Paris Biotech Santé 24 Rue du Faubourg Saint Jacques 75014 Paris France davide@qubit-pharmaceuticals.com.
  • Wendeborn S; University of Applied Sciences and Arts Northwestern Switzerland, School of LifeSciences Hofackerstrasse 30 CH-4132 Muttenz Switzerland.
  • Ho C; Qubit Pharmaceuticals, Incubateur Paris Biotech Santé 24 Rue du Faubourg Saint Jacques 75014 Paris France davide@qubit-pharmaceuticals.com.
  • El Ahdab D; Sorbonne Université, Laboratoire de Chimie Théorique, UMR 7616 CNRS 75005 Paris France jean-philip.piquemal@sorbonne-universite.fr.
  • Jaffrelot Inizan T; Sorbonne Université, Laboratoire de Chimie Théorique, UMR 7616 CNRS 75005 Paris France jean-philip.piquemal@sorbonne-universite.fr.
  • Sturlese M; Molecular Modeling Section, Department of Pharmaceutical and Pharmacological Sciences, University of Padua via F. Marzolo 5 35131 Padova Italy.
  • Sosic A; Department of Pharmaceutical and Pharmacological Sciences, University of Padova via Marzolo 5 35131 Padova Italy.
  • Volpiana M; Department of Pharmaceutical and Pharmacological Sciences, University of Padova via Marzolo 5 35131 Padova Italy.
  • Lugato A; Department of Pharmaceutical and Pharmacological Sciences, University of Padova via Marzolo 5 35131 Padova Italy.
  • Barone M; Department of Pharmaceutical and Pharmacological Sciences, University of Padova via Marzolo 5 35131 Padova Italy.
  • Gatto B; Department of Pharmaceutical and Pharmacological Sciences, University of Padova via Marzolo 5 35131 Padova Italy.
  • Macchia ML; Department of Pharmaceutical and Pharmacological Sciences, University of Padova via Marzolo 5 35131 Padova Italy.
  • Bellanda M; Department of Chemistry, University of Padova via Marzolo 1 35131 Padova Italy.
  • Battistutta R; Department of Chemistry, University of Padova via Marzolo 1 35131 Padova Italy.
  • Salata C; Department of Molecular Medicine, University of Padua via Gabelli 63 35121 Padova Italy.
  • Kondratov I; Enamine Ltd 78 Chervonotkats'ka Str. Kyiv 02094 Ukraine.
  • Iminov R; Enamine Ltd 78 Chervonotkats'ka Str. Kyiv 02094 Ukraine.
  • Khairulin A; Enamine Ltd 78 Chervonotkats'ka Str. Kyiv 02094 Ukraine.
  • Mykhalonok Y; Enamine Ltd 78 Chervonotkats'ka Str. Kyiv 02094 Ukraine.
  • Pochepko A; Enamine Ltd 78 Chervonotkats'ka Str. Kyiv 02094 Ukraine.
  • Chashka-Ratushnyi V; Enamine Ltd 78 Chervonotkats'ka Str. Kyiv 02094 Ukraine.
  • Kos I; Enamine Ltd 78 Chervonotkats'ka Str. Kyiv 02094 Ukraine.
  • Moro S; Molecular Modeling Section, Department of Pharmaceutical and Pharmacological Sciences, University of Padua via F. Marzolo 5 35131 Padova Italy.
  • Montes M; Laboratoire GBCM, EA7528, Conservatoire National des Arts et Métiers, Hesam Université 2 Rue Conte 75003 Paris France.
  • Ren P; University of Texas at Austin, Department of Biomedical Engineering TX 78712 USA.
  • Ponder JW; Department of Chemistry, Washington University in Saint Louis MO 63130 USA.
  • Lagardère L; Department of Biochemistry and Molecular Biophysics, Washington University School of Medicine MO 63110 USA.
  • Piquemal JP; Sorbonne Université, Laboratoire de Chimie Théorique, UMR 7616 CNRS 75005 Paris France jean-philip.piquemal@sorbonne-universite.fr.
  • Sabbadin D; Sorbonne Université, Laboratoire de Chimie Théorique, UMR 7616 CNRS 75005 Paris France jean-philip.piquemal@sorbonne-universite.fr.
Chem Sci ; 13(13): 3674-3687, 2022 Mar 30.
Article en En | MEDLINE | ID: mdl-35432906
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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Idioma: En Revista: Chem Sci Año: 2022 Tipo del documento: Article
Texto completo
Imprimir
XML
PubMed Links
Buscar en Google

Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Idioma: En Revista: Chem Sci Año: 2022 Tipo del documento: Article