Research Article

[Retracted] Computational Study on the Inhibitory Effect of Natural Compounds against the SARS-CoV-2 Proteins

Table 3

HOMO, LUMO, solvation energy, and MESP of top hit homeopathy compounds.

Compound IDHOMO (eV)LUMO (eV)Solvation energy (kcal/mol)MESP (kcal/mol)
Most negative potentialMost positive potential

7402935−0.233−0.006−0.11−66.59105.98
320361−0.234−0.067−29.27−54.4365.38
3802778−0.217−0.0706−121.60−187.2347.84
5315832−0.218−0.069−107.41−183.6956.04
14590080−0.237−0.0147−78.15−60.3566.97