TABLE 3.

Binding energy of MD simulation for compounds: GA, CA, TQ, Betanin, Betanidin, Ebselen, and Fisetin.

Compound name	Free binding energy (kJ/mol)
Betanidin	−465.85
Betanin	−328.872
CA	−195.599
GA	−179. 57
Ebselen	−89.984
Fisetin	−72.844
TQ	−4.247