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Article
Open AccessQuantitative live cell imaging of a tauopathy model enables the identification of a polypharmacological drug candidate that restores physiological microtubule interaction
Tauopathies such as Alzheimer’s disease are characterized by aggregation and increased phosphorylation of the microtubule-associated protein tau. Tau’s pathological changes are closely linked to neurodegenerat...
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Article
Open AccessDevelopment of machine learning classifiers to predict compound activity on prostate cancer cell lines
Prostate cancer is the most common type of cancer in men. The disease presents good survival rates if treated at the early stages. However, the evolution of the disease in its most aggressive variant remains w...
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Article
Open AccessPrediction of activity and selectivity profiles of human Carbonic Anhydrase inhibitors using machine learning classification models
The development of selective inhibitors of the clinically relevant human Carbonic Anhydrase (hCA) isoforms IX and XII has become a major topic in drug research, due to their deregulation in several types of ca...
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Protocol
Virtual Screening for Dual Hsp90/B-Raf Inhibitors
In this chapter, we describe a computational strategy leading to the identification of the first dual inhibitors of Heat Shock Protein 90 (Hsp90) and protein kinase B-Raf. Both proteins are validated targets f...
