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

Table 4

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

Compound ID	HOMO (eV)	LUMO (eV)	Solvation energy (kcal/mol)	MESP (kcal/mol)
				Most negative potential	Most positive potential
44259583	−0.219	−0.0644	−71.41	−69.12	67.30
44259584	−0.216	−0.0615	−68.78	−73.24	69.46
88583189	−0.257	−0.0355	−28.64	−68.39	77.91
250395	−0.221	−0.054	−66.87	−57.96	63.27
129677029	−0.226	−0.046	−13.16	−36.80	46.73