Deciphering Antagonist Selectivity of Endothelin Receptors: Insights from Cryo-EM-Based Structural Studies Academic Background Endothelin (ET) is a potent vasoconstrictor peptide that plays a significant role in regulating cardiovascular functions. The endothelin family includes ET-1, ET-2, and ET-3, which regulate vascular tone and cardiovascular ...

From early drug discovery researchers face a daunting challenge – to find drug-like candidate molecules among approximately 10^60 possible molecular structures. One successful solution is to start from smaller “fragment” molecules, a strategy known as fragment-based drug design (FBDD). In the FBDD process, the first step is to computationally scree...