Table 1.

List of proteins involved in the apoptosis, long-term potentiation (LTP), and neurotrophin signaling pathways and free energies of their interactions with QT obtained using Hex software.

Apoptosis				QT		Fe3O4		PubChem ID of Inhibitor	Inhibitor
		KEGG entry	PDB ID	Hex	Autodock	Hex	Autodock		Hex	AutoDock
1	BID	K04726	5UA4	−216.3	−7.69	−103.52	−1.58	11547341	−289.23	−7.86
2	BCL2	K02161	5B1Z	−278.6	−8.41	−98.75	−1.57	49846579	−289.37	−9.39
3	BAX	K02159	1F16	−274.4	−7.46	−102.01	−1.81	10129115	−301.46	−9.42
4	SMAC	K10522	1few	−108.283	−0.18	−87.39	0.25	11200722	−256.89	−8.75
5	HTRA2	K08669	1LCY	−266.1	−7.81	−97.43	−2.21	1102771	−301.89	−9.03
6	Cyc C	K08738	2N3Y	−285.5	−8.38	−100.04	−2.36	4100	−187.61	−5.86
7	FADD	K02373	1a1w	−243.7	−7.76	−115.77	−2.21	5351169	−223.21	−5.85
8	TNFR1	K03158	1f2h	−281.2	−8.74	−104.47	−2.17	47205810	−262.34	−7.01
9	APAF1	K02084	5wvE	−256.79	−10.07	−99.27	−1.92	25108684	−233.62	−3.45
10	Caspase8	K04398	3h11	−275.2	−8.31	−116.87	−1.67	5497174	−361.31	−10.56
11	Caspase9	K04399	3v3k	−293.6	−8.31	−75.23	−2.40	10032582	−303.29	−10.58
12	Cas3	K02187	1gfw	−251.2	−8.36	−117.37	−2.45	16760394	−268.96	−9.01
Neurotrophin Signaling Pathway
13	NGFB	K02582	4edw	−113.4	−0.11	−98.14	−1.77	9943465	−292.38	−8.46
14	BDNF	K04355	1b8m	−226.9	−6.33	−77.57	−1.88	11612445	−275.43	−8.04
15	NTF3	K04356	1b8k	−253.0	−7.48	−87.17	−1.47	10074640	−268.73	−8.21
16	NTRK1	K03176	5km1	−282.6	−8.86	−112.74	−2.17	59397065	−296.37	−9.08
17	NGFR	K02583	2n80	−272.8	−7.73	−104.17	−2.14	17756791	−307.59	−7.98
18	SORT1	K12388	4po7	−282.86	−10.00	−96.70	−1.64	1061996	−261.83	−6.77
MAPK pathway
19	FRS2	K12461	2mfq	−260.01	−7.55	−95.06	−1.14	57379345	−280.91	−8.30
20	CRK	K04438	1ju5	−273.2	−8.47	−96.06	−2.05	9549301	−266.97	−7.46
21	BRAF	K04365	5j17	−260.8	−8.14	−118.70	−2.03	44223999	−298.03	−10.56
22	MEKK3	K04421	4y5o	−256.8	−7.41	−123.49	−1.86	11544170	−268.39	−8.40
23	MEK5	K04463	2o2v	−248.2	−6.97	−103.70	−1.80	1530	−279.62	−9.06
24	MAPK7	K04464	4zsg	−269.0	−8.02	−93.29	−2.41	747994	−297.05	−9.08
25	ATF4	K04374	1ci6	−234.6	−6.67	−116.89	−1.42	AID 1060412	−298.30	−10.69
26	MSK1	K04445	3kn5	−310.29	−10.36	−89.65	−2.35	71584481	−257.36	−7.78
27	GRB2	K04364	5gjh	−299.9	−8.21	−109.740	−2.23	3035817	−322.49	−9.68
28	SOS	K03099	4ruv	−235.8	−7.83	−122.086	−2.19	374536	−257.39	−8.49
29	HRAS	K02833	4uru	−256.44	−9.46	−111.957	−2.05	159324	−279.23	−10.08
30	MEK1	K04368	5eym	−260.39	−9.79	−98.10	−1.90	389898	−273.48	−9.93
31	ABL	K06619	5hu9	−247.69	−10.18	−100.02	−2.16	3320547	−258.53	−10.71
32	SHC1	K06279	4jmh	−236.2	−8.11	−103.428	−2.15	49806720	−279.23	−9.02
33	IRS1	K1672	3bu3	−246.36	−9.15	−110.721	−1.95	65110	−279.33	−9.28
34	PI3K	K02694	4ovu	−234.4	−9.03	−121.153	−1.68	6918289	−258.19	−9.58
35	PDPK1	K06276	5lvl	−276.08	−10.24	−124.237	−1.95	10027278	−288.54	−10.98
36	Akt	K04456	5kcv	−281.58	−9.19	−113.825	−2.01	5329102	−286.31	−8.98
37	NFKBIB	K02581	4kik	−275.3	−8.20	−10.718	−1.93	9549298	−285.47	−8.45
38	NFKB1	K02580	1NF	−261.3	−8.33	−106.415	−1.46	5353432	−296.37	−8.95
39	FOXO3	K09408	2k86	−255.6	−7.60	−130.845	−1.88	122382714	−266.18	−7.83
40	GSK3B	K03083	5k5n	−289.8	−8.32	−121.718	−2.08	16760703	−291.17	−8.35
41	PLCG1	K01116	5eg3	−246.2	−7.37	−124.119	−2.11	4784	−253.34	−7.56
42	PRKCD	K06068	3uej	−245.27	−9.20	−113.56	−1.85	59783146	−283.49	−10.56
43	CAMK2	K04515	5ig3	−235.6	−7.81	−97.41	−1.57	5312122	−267.13	−9.23
44	TNFSF6	K04389	5l19	−268.0	−7.59	−128.295	−2.61	9831419	−276.39	−8.95
45	TRAF6	K03175	4z8m	−230.2	−7.95	−129.492	−1.96	1061998	−267.43	−8.22
46	Cdc42	K04393	2kb0	−280.1	−9.33	−120.023	−2.02	2950007	−261.09	−8.80
47	Rac1	K04392	4uip	−265.5	−8.23	−127.117	−2.49	16759159	−266.69	−10.02
48	RIPK2	K08846	5j79	−196.4	−9.38	−119.713	−2.38	56602558	−267.68	−9.47
49	IRAK1	K04730	5kx7	−236.5	−8.75	−120.679	−1.97	11983295	−283.16	−10.27
50	JNK	K04440	4E73	−250.41	−7.98	−142.393	−1.84	8515	−273.12	−9.13
51	TP73	K10148	2nb1	−263.47	−7.66	−119.489	−1.86	4817	−275.63	−7.73
52	TP53	K04451	3HF1	−278.73	−8.51	−121.457	−1.62	3213	−254.49	−7.88
53	CREB	K04374	1DH3	−234.74	−6.73	−114.903	−1.50	329397	−289.36	−8.06
54	CBP	K04498	4ouf	−250.22	−8.01	−125.641	−2.03	1285941	−263.45	−8.14
55	RSK2	K04373	4NUS	−301.65	−8.38	−111.789	−1.73	25023738	−293.91	−7.13