The Spanish National Research Centre (CNIO) is a Spanish public institution focused on the research, diagnosis and treatment of cancer. The CNIO is positioned within the top 10 ranking of research centres dedicated to cancer research worldwide (Scimago; Nature Index) and covers the whole R+D+I process, from basic up to clinical research to translate their…
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How computational chemistry tools can help drug repurposing?
For most of the past decade, the number of drugs approved every year per dollar spent on R&D has remained flat or decreased. The expenses for a newly approved drug will reach unexpected values over the next few years if this trend continues. (see What’s Eroom’s Law?) (1). Could the re-use of old drugs for…
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Fragment Based Drug Design and Field-Based Technology
Image obtained from Advances in Fragment-Based Drug Discovery by Laura Elizabeth Mason Fragment-Based Drug Design (FBDD) is becoming a useful strategy for hit to lead optimization in drug discovery. In the last years, some compounds derived from such methodology have progressed into clinical trials and it is estimated that this trend will increase in a…
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PharmScreen GUI v2.0 released: faster and easier! Request a demo
We have been working hard to bring up a new Graphical User Interface (GUI) based on feedback from many computational and medicinal chemists using PharmScreen. Today we are glad to announce that the version 2.0 of PharmScreen GUI has been released. Apart from different minor changes, the major improvements are related to ligand/library preparation and…
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