TABLE 3.

Table represents van der Waals, electrostatic, polar solvation, SASA, and binding energies in kJ.mol⁻¹ for the control compound (4E3) and predicted hits.

S. No.	Complex	Van der Waals energy	Electrostatic energy	Polar solvation energy	SASA energy	Binding energy
1	DYRK1A-4E3	−210.35 ± 9.24	2.54 ± 5.44	78.73 ± 15.04	−18.15 ± .85	−147.23 ± 15.58
2	DYRK1A-ZINC2123081	−198.86 ± 10.08	−16.69 ± 8.14	109.85 ± 18.95	−17.49 ± .80	−123.19 ± 13.57
3	DYRK1A-ZINC3843365	−160.08 ± 12.84	−12.49 ± 9.07	66.59 ± 15.90	−14.83 ± 1.01	−120.81 ± 13.35
4	DYRK1A-ZINC5220992	−262.79 ± 12.96	−18.54 ± 9.75	130.57 ± 14.73	−20.68 ± .85	−171.43 ± 14.53
5	DYRK1A-ZINC68569602	−175.50 ± 15.92	−4.10 ± 5.06	65.69 ± 14.78	−16.66 ± 1.30	−130.57 ± 14.41