Design of an interface peptide as new inhibitor of human glucose-6-phosphate dehydrogenase
Human glucose-6-phosphate dehydrogenase (G6PDH) is a validated target for cancer research. We designed 6 interface peptides as new inhibitors of G6PDH. We found an active peptide of 14 residues with moderate activity as inhibitor of G6PDH. We combined experimental assays on human G6PDH and binding free energy predictions based on the MMPB(GB)SA method.
interface peptides glucose-6-phosphate dehydrogenase cancer molecular modeling mmpbsa