In Silico Designing and Analysis of Inhibitors against Target Protein Identified through Host-Pathogen Protein Interactions in Malaria

Table 1

Comparison of binding energy scores of reference and potential drug molecules.

Mol. number	H-bonding energy	Coulomb energy	Covalent binding energy	Pi-pi packing energy	Lipophilic energy	Binding energy	Electrosolvation energy	Van der Waals energy
Ref.	−0.33	3.52	4.77	−0.17	−42.46	−80.96	5.05	−51.35
A	−2.35	−19.23	2.09	−3.63	−37.46	−83.79	21.08	−44.34
B	−3.78	−66.20	5.94	0	−32.50	−98.16	37.69	−39.30