Friday, June 18, 2021

Drug design of class D GPCR Ste2 by artificial intelligence and classical algorithm

The detailed process of drug design of class D GPCR Ste2: see https://doi.org/10.1016/j.csbj.2021.06.017 


The Saccharomyces cerevisiaepheromone receptor Ste2 that belongs to one member of the class D GPCRs family exists as an essential dimer for signaling and functional endocytosis [35] in yeast cells. The drugs targeted to Ste2 can be used to treat intractable fungal diseases. The cryo-EM structure of Ste2 contains the high-affinity agonist tridecapeptide pheromone α-factor (WHWLQLKPGQPMY) in the orthosteric binding site……………