Heat shock protein 90 and serine/threonine kinase B-Raf inhibitors have overlapping chemical space

Author:

Anighoro A.12345ORCID,Pinzi L.6789,Marverti G.1011789,Bajorath J.12345ORCID,Rastelli G.6789ORCID

Affiliation:

1. Department of Life Science Informatics

2. B-IT

3. LIMES Program Unit Chemical Biology and Medicinal Chemistry

4. Rheinische Friedrich-Wilhelms-Universität

5. D-53113 Bonn

6. Department of Life Sciences

7. University of Modena and Reggio Emilia

8. Modena

9. Italy

10. Department of Biomedical

11. Metabolic and Neurosciences

Abstract

With the aid of computational design, we show that Hsp90 and B-Raf inhibitors have overlapping chemical space and we disclose the first-in-class dual inhibitors.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Reference45 articles.

1. P. C. Echeverría and D.Picard, in The Molecular Chaperones Interaction Networks in Protein Folding and Degradation, ed. W. A. Houry, Springer-Verlag, New York, 2014, ch. 5, pp. 133–150

2. An Interaction Network Predicted from Public Data as a Discovery Tool: Application to the Hsp90 Molecular Chaperone Machine

3. Hsp90 Molecular Chaperone Inhibitors: Are We There Yet?

4. Progress in the Discovery and Development of Heat Shock Protein 90 (Hsp90) Inhibitors

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