Molecular docking as a tool for the discovery of novel insight about the role of acid sphingomyelinase inhibitors in SARS- CoV-2 infectivity

Alkafaas, Samar Sami; Abdallah, Abanoub Mosaad; Hassan, Mai H.; Hussien, Aya Misbah; Elkafas, Sara Samy; Loutfy, Samah A.; Mikhail, Abanoub; Murad, Omnia G.; Elsalahaty, Mohamed I.; Hessien, Mohamed; Elshazli, Rami M.; Alsaeed, Fatimah A.; Ahmed, Ahmed Ezzat; Kamal, Hani K.; Hafez, Wael; El-Saadony, Mohamed T.; El-Tarabily, Khaled A.; Ghosh, Soumya

doi:10.1186/s12889-024-17747-z

Table 2 Functional inhibitors of acid sphingomyelinase (FIASMs) with US Food and Drug Administration (FDA) appraisal

From: Molecular docking as a tool for the discovery of novel insight about the role of acid sphingomyelinase inhibitors in SARS- CoV-2 infectivity

No	FIASMAs	FDA	Molecular weight g/mole	References
1	Alverine	Not approved	281.44	[27, 125, 126]
2	Astemizole	Approved	458.571	[127]
3	Aprindine	Not approved	322.487	[27, 125]
4	Amlodipine	Approved	408.879	[125, 127]
5	Ambroxol	Approved	378.1028	[125]
6	Amiodarone	Approved	645.31	[128, 129]
7	Amitriptyline	Approved	277.403	[128,129,130]
8	Benztropin	Approved	307.429	[127, 131]
9	Bepridil	Approved	366.54	[127, 131, 132]
10	Biperidene	Approved	311.46	[27, 125]
11	Camylofine	Approved	320.47	[127]
12	Carvedilol	Approved	406.474	[27, 125, 128, 130]
13	Cepharanthine	Not approved	606.7	[27, 125, 133, 134]
14	Clofazimine	Approved	473.4	[125, 128]
15	Clemastine	Approved	343.89	[125, 128, 135, 136]
16	Cloperastine	Approved	329.86	[127, 134, 137]
17	Chlorprothixene	Not approved	315.86	[127, 128, 135]
18	Chlorpromazine	Approved	318.86	[128, 131, 134, 138]
19	Clofazimine	Approved	473.39	[128, 139, 140]
20	Clomiphene	Approved	405.966	[127, 141, 142]
21	Clomipramine	Approved	314.9	[128, 131, 143, 144]
22	Conessine	Not approved	356.6	[27, 125]
23	Cyclobenzaprine	Approved	275.4	[127, 128]
24	Cyproheptadine	Approved	287.39	[127, 128]
25	Desipramine	Approved	266.388	[128, 143, 145]
26	Desloratadine	Approved	310.82	[27, 125, 145]
27	Dicycloverine	Approved	309.487	[27, 125, 140]
28	Dilazep	Approved	604.7	[132, 146]
29	Dimebon	Not approved	319.452	[27, 125]
30	Doxepine	Approved	279.376	[127, 132, 147]
31	Drofenine	Approved	317.47	[127, 128, 143, 145]
32	Emetine	Not approved	480.639	[125, 134, 148,149,150]
33	Fendeline	Approved	315.5	[127]
34	Flupenthixol	Not approved	434.5219	[136, 143, 151]
35	Fluoxetine	Approved	309.33	[127,128,129, 144, 146]
36	Fluvoxamine	Approved	318.335	[125, 143, 152]
37	Fluphenazine	Approved	437.523	[125, 128, 131, 153]
38	Flupentixol	Not approved	434.5219	[136, 143, 151]
39	Flunarizine	Not approved	404.495	[128, 135]
40	Hydroxyzin	Approved	374.904	[125, 129, 144, 154, 155]
41	Imipramine	Approved	280.407	[128, 143, 145, 156]
42	Loperamide	Approved	477.037	[129, 135, 157]
43	Loratadine	Approved	382.88	[128, 154, 158]
44	Maproteline	Approved	277.403	[127, 128, 135, 145]
45	Melatonine	Not approved	232.278	[130, 138, 159, 160]
46	Mebhydroline	Not approved	276.376	[125]
47	Mebeverine	Not approved	429.55	[27, 125]
48	Mibefradile	Not approved	495.63	[27, 125]
49	Norfluoxetine	Approved	295.30	[127]
50	Nortriptyline	Approved	263.377	[125, 127, 146]
51	Paroxetine	Approved	329.37	[127, 129, 144, 160, 161]
52	Perphenazine	Approved	403.97	[27, 125, 128, 162]
53	Pimozide	Approved	461.56	[27, 125]
54	Pimethexene	Approved	293.434	[127]
55	Profenamine	Discontinued	312.5	[27, 125]
56	Promethazine	Approved	284.4191	[127, 128, 131, 155]
57	Promazine	Not approved	284.42	[127]
58	Protriptyline	Approved	263.377	[127, 128]
59	Quinacrine	Not approved	400.0	[155, 163]
60	Sertindole	Not approved	440.941	[27, 125]
61	Solasodine	Not approved	413.64	[27, 125]
62	Sertraline	Approved	306.229	[127, 144, 164]
63	Suloctidil	Not approved	337.6	[127]
64	Tamoxifene	Approved	371.515	[144, 155, 164]
65	Thioridazine	Approved	370.6	[163,164,165]
66	Tomatidine	Not approved	415.7	[27, 125]
67	Terfenadine	Not approved	471.673	[127]
68	Trifluoperazine	Approved	407.497	[128, 151, 164]
69	Triflupromazine	Approved	352.4	[125, 128]
70	Trimipramine	Approved	294.434	[128, 166]
71	Zolantidine	Not approved	381.5	[27, 125]

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