Table 1.

Result of drug receptor interaction

Sample no.	Drug	Run	Binding energy ∆Gb (kcal/mol)	Intermolecular energy	Torsional energy	Internal energy	Histogram	Inhibition constant	Binding residues
1	Alpha pinene	3	−6.24	−6.24	0	−0.10	10	26.88	PRO409
2	Anethol	3	−5.53	−6.13	0.60	−0.15	2	88.46	GLN431
3	Apigenin	1	−5.66	−6.85	1.19	−0.81	5	71.52	TYR495
4	Aucubin	1	−5.79	−8.77	2.98	−1.57	2	57.34	SER428
5	Carotol	4	−5.12	−5.72	0.60	−0.09	2	176.14	PHE447
6	Cinnamic aldehyde	2	−5.38	−5.98	0.60	−0.10	3	113.02	ALA448
7	Coriandrol	8	−5.53	−7.02	1.49	−0.26	6	88.67	ARG479
8	Ginkgolide	8	−15.99	−16.88	0.89	−0.19	7	1.92	ASN487
9	Phyllantidine	5	−7.38	−7.38	0	0.00	2	3.89	TYR495
10	Zivulgarin	9	−5.74	−10.51	4.77	192.63	3	62.18	TRP465