Comparative Assessment of Three Medicinal Plants against Diabetes and Oxidative Stress Using Experimental and Computational Approaches

Table 4

Molecular docking study of EEMC, METT, and MEAC against α-amylase (PDB ID: 3BAJ) for antidiabetic activity.

Sample	Compound	Docking score	Glide Emodel	Glide energy
EEMC	Crassifoside A	−6.03	−67.87	−50.98
	Breviscaside A	−6.06	−69.67	−54.05
	Crassifogenin C	−6.03	−67.87	−50.98
	Crassifoside D	−5.92	−65.15	−51.27
	Curcapital	−5.34	−51.50	−38.20
	Isocurculigine	−5.71	−76.74	−59.01
METT	Cyclotricuspidoside A	−7.19	−86.64	−60.86
	Cyclotricuspidoside C	−6.89	−87.29	−60.02
	Stigmast-7-en-3β-ol	−5.56	−50.89	−37.71
	α-Spinasterol	−6.18	−52.09	−37.94
	3-o-β-D-glucopyranoside	−5.26	−58.87	−50.47
	Glyceryl 1 palmitate	−5.06	−54.98	−45.95
MEAC	Stigmasterol	−6.08	−51.93	−37.41
	β-sitosterol	−6.06	−49.61	−49.61
	Campesterol	−5.89	−48.07	−35.58
	1,3,5-Benzenetriol	−5.25	−35.03	−25.74
	Vitamin E acetate	−4.43	−56.71	−47.62
	Squalene	−3.15	−47.09	−42.01
Standard	Acarbose	−7.37	−81.25	−59.51

EEMC: ethanol extract of M. capitulata; METT: methanol extract of T. tricuspidata; MEAC: methanol extract of A. campanulatus.