Skip to main content
. 2022 Aug 30;13:997664. doi: 10.3389/fphar.2022.997664

TABLE 1.

Binding energies, derived from MM/GBSA calculation, of the top two compounds selected in virtual screening for GPR160 and CRHR2 respectively.

ZINC ID Drug name Weight a Binding energy b
ZINC000001550499 Cinacalcet 357.41 −23.68 ± 2.69
ZINC000001612996 Irinotecan 586.69 −20.43 ± 3.24
ZINC000164528615 Glecaprevir 838.88 −47.39 ± 4.74
ZINC000164760756 Simeprevir | Olysio 749.96 −44.87 ± 3.25
a

g/mol.

b

Kcal/mol.