Discovery of Novel BRD4 Ligand Scaffolds by Automated Navigation of the Fragment Chemical Space

Author:

Piticchio Serena G.1,Martínez-Cartró Míriam1,Scaffidi Salvatore1,Rachman Moira1,Rodriguez-Arevalo Sergio2,Sanchez-Arfelis Ainoa2,Escolano Carmen2ORCID,Picaud Sarah3,Krojer Tobias3,Filippakopoulos Panagis3,von Delft Frank34567ORCID,Galdeano Carles1,Barril Xavier18ORCID

Affiliation:

1. Departament de Farmacia i Tecnología Farmacèutica, i Fisicoquímica, Institut de Biomedicina (IBUB), Universitat de Barcelona, Av. Joan XXIII, 27-31, E-08028 Barcelona, Spain

2. Laboratory of Medicinal Chemistry (Associated Unit to CSIC), Department of Pharmacology, Toxicology and Medicinal Chemistry, Faculty of Pharmacy and Food Sciences, and Institute of Biomedicine (IBUB), University of Barcelona, Av. Joan XXIII, 27-31, E-08028 Barcelona, Spain

3. Structural Genomics Consortium, Nuffield Department of Medicine, Oxford University, Old Road Campus Research Building, Roosevelt Drive, OX3 7DQ Oxford, United Kingdom

4. Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot OX11 0QX, United Kingdom

5. Research Complex at Harwell, Harwell Science and Innovation Campus, Didcot OX11 0FA, United Kingdom

6. Centre for Medicines Discovery, University of Oxford, Oxford OX1 3QU, United Kingdom

7. Department of Biochemistry, University of Johannesburg, Auckland Park 2006, South Africa

8. Catalan Institution for Research and Advanced Studies (ICREA), Barcelona 08010, Spain

Funder

Medical Research Council

Ministerio de Ciencia e Innovaci??n

Ag??ncia de Gesti?? d???Ajuts Universitaris i de Recerca

H2020 Marie Sk??odowska-Curie Actions

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Molecular Medicine

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