Probing the multitargeting potential of n-hexane fraction of Gongronema latifolium leaves in neurodegeneration via in vitro, GC–MS and in silico studies

Future Journal of Pharmaceutical Sciences

Table 6 Mean and SD of different energy constituents of the binding free energy of lead phytochemicals to respective proteins

System	Δ_VDWAALS	Δ_EEL	Δ_EGB	Δ_ESURF	Δ_GGAS	Δ_GSOLV	Δ_TOTAL
4EY7_dihydroactinidiolide	− 25.4 ± 2.16	− 11.64 ± 3.83	22.12 ± 3.50	− 3.46 ± 0.18	− 37.04 ± 5.08	18.66 ± 3.44	− 18.38 ± 2.60
4EY7_ Donepezil	− 44.37 ± 2.80	− 6.31 ± 4.07	35.42 ± 4.31	− 6.07 ± 0.32	− 50.68 ± 5.51	29.35 ± 4.15	− 21.33 ± 3.19
4EY7_Thymol	− 21.96 ± 2.74	− 7.35 ± 4.31	16.82 ± 2.51	− 3.12 ± 0.27	− 29.31 ± 3.87	13.7 ± 2.51	− 15.61 ± 2.47
6ep4_1H-Indole-3-ethanamine	− 21.57 ± 2.08	− 5.06 ± 4.36	19.72 ± 3.98	− 3.04 ± 0.26	− 26.63 ± 4.40	16.68 ± 3.95	− 9.95 ± 2.24
6ep4_Dihydroactinidiolide	− 19.84 ± 2.80	− 4.12 ± 6.91	11.84 ± 6.25	− 2.82 ± 0.37	− 23.96 ± 7.91	9.01 ± 6.13	− 14.95 ± 3.47
6ep4_ Propidium	− 26.51 ± 5.26	− 197.43 ± 32.76	210.53 ± 35.75	− 4.23 ± 0.88	− 223.94 ± 36.58	206.3 ± 35.08	− 17.64 ± 3.93
5i3v_Comp 1	− 41.34 ± 2.87	− 18.02 ± 3.90	45.98 ± 4.47	− 5.58 ± 0.36	− 59.37 ± 5.26	40.4 ± 4.21	− 18.96 ± 2.86
5i3v_Dihydroactinidiolide	− 18.3 ± 1.97	− 9.91 ± 5.70	18.09 ± 4.98	− 2.81 ± 0.28	− 28.21 ± 6.43	15.27 ± 4.90	− 12.94 ± 2.61
2beg_1H-Indole-3-ethanamine	− 20.64 ± 2.23	− 181.49 ± 18.83	191.43 ± 16.86	− 3.39 ± 0.15	− 202.14 ± 18.55	188.05 ± 16.84	− 14.09 ± 3.19