Micar Innovation is a drug discovery factory. The company has found a niche where it is able to create a large societal impact by improving the quality of life through new blockbuster drug molecules for a large class of diseases. Micar Innovation focuses on non-clinical Proof-of-Concepts (POCs) in preclinical R&D and Hit-to-Lead (H2L) achievements in areas such as neuroscience, oncology, cardio-vascularity, dermatology, rare diseases. Micar21 is our drug discovery platform for small molecule drug candidates. The business model is based on licensing our intellectual property to commercial partners and on the creation new spin out companies.
We have a significant experience in advanced methods in the virtual screening thus discovering in a fast manner new potential leads for any target protein. Despite, the standard approaches we currently use our own novel method, which combines the structure based pharmacophore and docking virtual screens. This approach has been tested on both DUD-E set and in a frame of real live drug discovery projects. For instance, we discovered series of new lead inhibitors of Glycine transporters (GLYT2) and AKT1 kinase. Notably, we identified many leads using MD retrieved structures which had a sub micromole activity and also great selectivity. Papers about these studies are on the way.
In all studied cases the hit ligands identification success rate was more than 70%.
Recently, we improved the FEP+ protocol by 30-40% increasing significantly the accuracy. Indeed many other approaches are also employed for this critical step, which is the most expensive part of any drug discovery project.
In a case when both the structure and dynamics of some protein are not clear we use state of art Molecular dynamics simulations such as long term classical (cMD), accelerated (aMD), GaMD and Metadynamics to obtain the information, which is critical for the drug discovery project to be performed. For instance, if you have GPCR structure created by Homology modeling you will need to refine it and to obtain a really good structure which further to be used during the virtual screens and FEP calculations.
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