Molecular docking study and antiviral evaluation of 2-thioxo-benzo[g]quinazolin-4(3H)-one derivatives

BMC Chemistry

Table 2 Antiviral activity against HSVand CVB4 of compounds (1–28) in terms of CC₅₀, EC₅₀ (μg/mL) and SI

Cpd Nr.	CC₅₀	HSV-1		HSV-2		CVB4
Cpd Nr.	CC₅₀	EC₅₀	SI	EC₅₀	SI	EC₅₀	SI
1	115.9	Inactive	Inactive	Inactive	Inactive	272.4	0.43
2	173.1	247.5	0.70	213.8	0.81	149.2	1.16
3	376.5	428.1	0.88	361.6	1.04	342.4	1.10
4	824.7	706.4	1.17	649.2	1.27	478.9	1.72
5	3840	896.4	4.28	740.8	5.18	612.8	6.27
6	261.4	224.5	1.16	208.9	1.25	102.9	2.54
7	105.7	73.8	1.43	81.4	1.30	38.9	2.72
8	218.5	147.1	1.49	159.6	1.37	93.6	2.33
9	546.9	316.5	1.73	359.2	1.52	94.8	5.77
10	198.9	162.7	1.22	184.3	1.08	124.1	1.60
11	542.6	403.9	1.34	467.3	1.16	216.2	2.51
12	83.7	74.12	1.13	65.9	1.27	56.4	1.48
13	652.4	594.6	1.10	681.3	0.96	371.8	1.75
14	221.8	197.3	1.12	176.4	1.26	116.8	1.90
15	376.2	243.2	1.55	260.8	1.44	104.6	3.60
16	934.2	582.9	1.60	624.6	1.50	316.4	2.95
17	132.7	81.2	1.63	104.8	1.27	50.2	2.64
18	183.4	149.8	1.22	140.5	1.31	89.5	2.05
19	236.5	189.3	1.25	174.9	1.35	157.1	1.51
20	465.3	369.1	1.26	402.9	1.15	287.6	1.62
21	968.7	674.8	1.44	812.6	1.19	259.4	3.73
22	127.3	76.3	1.67	89.4	1.42	41.2	3.09
23	205.6	183.6	1.12	165.2	1.24	149.2	1.38
24	169.1	64.7	2.61	112.3	1.51	43.9	3.85
25	431.6	307.2	1.40	284.8	1.52	204.3	2.11
26	681.2	498.2	1.37	514.6	1.32	395.6	1.72
27	1034.8	>1000	Inactive	>1000	Inactive	475.3	2.17
28	189.6	162.4	1.17	178.6	1.06	57.3	3.31
Acyclovir	648.2	2.3	281.83	1.06	144.04	–	–
Ribavirin	486.4	11.6	41.93	11.3	24.69	29.7	16.38

Cells treated with DMSO (0.1 %) were used as a negative control, and its reading was subtracted from the readings of tested compounds. Statistics were calculated using one-way ANOVA

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