Molecular Docking and Quantum Mechanical Studies on Pelargonidin-3-Glucoside as Renoprotective ACE Inhibitor

Table 1

Molecular and ADME properties of compounds.

	Molecular; weight; (in gms)	H-bond; acceptor	H-bond; donor	Log𝑃	Solubility; (mg/mL)	Molar; refractivity	TPSA; (Å^2)	AutoDock; scores	FlexX; scores	Hex; scores
Pelargonidin-; 3-glucoside	433.385	9	7	0.676	0.521	106.2712	173.21	8.7	−27.7	−359.5
Perindopril; (commercial; drug)	368.467	6	2	0.9	0.02928	96.176	95.9	5.2	−27.3	−239.2