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. 2024 Jan 18;14(5):2918–2928. doi: 10.1039/d3ra08086b

Calculated parameters related to the molecular docking studies of A1–A6 and B1–B6 compounds.

Compound GlideScore (kcal mol−1) ΔGbind (kcal mol−1)
A1 −9.165 −88.91
A2 −10.711 −125.38
A3 −11.683 −121.47
A4 −10.807 −131.75
A5 −10.898 −114.26
A6 −10.942 −115.89
B1 −7.288 −79.24
B2 −9.107 −97.73
B3 −8.371 −93.22
B4 −9.386 −102.15
B5 −9.477 −91.83
B6 −10.088 −94.71
Digoxin −12.278 −123.69