Gaussian field-based 3D-QSAR and molecular simulation studies to design potent pyrimidine–sulfonamide hybrids as selective BRAFV600E inhibitors
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DOI: 10.1039/d2ra05751d
Abstract: The “RAS-RAF-MEK-ERK” pathway is an important signaling pathway in melanoma. BRAFV600E (70–90%) is the most common mutation in this pathway. BRAF inhibitors have four types of conformers: type I (αC-IN/DFG-IN), type II (αC-IN/DFG-OUT), type I1/2… read more here.
Keywords: brafv600e inhibitors; brafv600e; pyrimidine sulfonamide; dfg ... See more keywords