Active Antialopecia Chemical Identification of Merremia peltata Leaves and Computational Study toward Androgen Receptor Using Molecular Docking and Molecular Dynamic Simulation

Table 3

Validation results for the molecular docking method.

Protein	Compound	Binding energy (kcal/mol)	RMSD	Hydrogen bond distance (Ǻ)	Amino acids that bind	Binding functional group	Nearest residues
4K7A	Minoxidil	−4.8	2.31	2.28 and 2.90	SER^865 and GLU^793	-NH2 and -NO	LEU^862, LYS^861, TYR^857

RMSD: root mean square deviation.