Table 2.

In silico molecular docking of phytochemicals of Commiphora myrrha (Nees) against AChE (PDB code 1EVE)

Ligand	Binding affinity (kcal/mol)	RMSD/upper bound	RMSD/lower bound
Abietic acid	− 10.2	0.807	0.793
Alloaromadendrene	− 9.1	4.912	1.104
Alpha-selinene	− 8.7	2.827	1.848
Alpha-terpineol	− 7.0	4.935	2.472
Beta-eudesmol	− 8.9	6.674	3.419
Beta-copaene	− 9.1	5.147	1.052
Beta-elemene	− 8.4	5.358	1.649
Bicyclogermacrene	− 8.7	4.612	1.590
Caryophyllene	− 8.6	4.242	1.146
Cedrelanol	− 8.5	4.739	2.126
Alpha-copaene	− 8.8	3.949	2.153
Cuminaldehyde	− 7.2	2.877	2.417
Cuscohygrine	− 7.4	6.079	0.290
Delta-cadinene	− 9.2	4.041	0.869
Delta-elemene	− 8.4	4.955	1.543
Dipentene (limonene)	− 7.1	1.985	0.422
Elemol	− 8.4	2.095	1.527
Eugenol	− 6.7	5.484	4.016
Gamma-cadinene	− 8.6	4.256	1.736
Gamma-elemene	− 8.8	5.566	1.669
Germacrone	− 9.3	3.229	1.670
m-cresol	− 5.8	2.386	0.649
p-cymene	− 7.5	1.537	0.084
Valencene	− 8.7	2.720	1.821
Alpha-humulene	− 9.0	4.558	1.410
Alpha-pinene	− 6.6	4.202	1.947
Beta-selinene	− 9.1	5.311	1.464
Alpha-bergamotene	− 7.8	5.508	1.797

RMSD root mean-square deviation is the measure of the average distance between the atoms