Quinoline and Quinazoline Alkaloids against COVID-19: An In Silico Multitarget Approach

Table 1

Toxicity risks and drug likeliness predicted by OSIRIS Property Explorer.

No.	Compound name	ME	TE	IE	RE	DL	DS
1	Uranidine	—	—	—	—	0.50	0.78
2	1-Methyl-2-[6′-(3″,4″-methylenedioxyphenyl)hexyl]-4-quinolone	—	—	—	—	−0.86	0.55
3	4-Methoxy-1-methylquinolin-2-one	—	—	—	—	1.90	0.89
4	2-Acetyl-4(3H)-quinazolinone	—	—	—	—	3.11	0.94
5	Chimanine D	—	—	—	—	−0.28	0.66
6	Cuspareine	—	—	—	—	4.79	0.69
7	Galipeine	—	—	—	—	3.54	0.79
8	Galipinine	—	—	—	—	2.45	0.59
9	Acronydine	—	—	—	—	2.76	0.86
10	Veprisine	—	—	—	—	2.76	0.86
11	Isofebrifugine	—	—	—	—	4.19	0.91
12	2-Methoxyrutaecarpine	—	—	—	—	5.25	0.8
13	2-Methoxy-13-methylrutaecarpine	—	—	—	—	6.09	0.81
14	Tryptanthrin	—	—	—	—	3.28	0.84
15	Neosartoryadin A	—	—	—	—	3.32	0.71
16	Neosartoryadin B	—	—	—	—	1.15	0.63
17	Oxoglyantrypine	—	—	—	—	4.00	0.87
18	Norquinadoline A	—	—	—	—	7.04	0.74
19	Deoxynortryptoquivaline	—	—	—	—	4.44	0.66
20	Quinadoline A	—	—	—	—	7.19	0.72
21	3-Hydroglyantrypine	—	—	—	—	4.2	0.89
22	Cladoquinazoline	—	—	—	—	3.91	0.82
23	Epi-cladoquinazoline	—	—	—	—	3.91	0.82
24	Glyantrypine	—	—	—	—	3.84	0.89
25	Deoxytrytoquivaline	—	—	—	—	5.93	0.58
26	Prelapatine B	—	—	—	—	3.72	0.88
27	Waltherione A	—	—	—	—	−0.01	0.54

ME: mutagenic effect; TE: tumorigenic effect; IE: irritant effect; RE: reproductive effect; DL: drug likeliness; DS: drug score; (—): no risk.