Chemical Information | |
Antiviral agent ID | DrugRepV_0877 | |
Antiviral agent name | Simvastatin | |
IUPAC Name | [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate | |
SMILES (canonical) | CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C | |
SMILES (isomeric) | CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C | |
Molecular Formula | C25H38O5 | |
Molecular Weight (g/mol) | 418.57 | |
InChl | InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1 | |
Common Name | Simvastatin | |
Synonyms | 2,2-Dimethylbutyric acid, 8-ester with (4R,6R)-6-(2-((1S,2S,6R,8S,8ar)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthyl)ethyl)tetrahydro-4-hydroxy-2H-pyran-2-one | Simvastatin | Simvastatina | Simvastatine | Simvastatinum | Synvinolin | |
Structural Information | |
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Clinical Information | |
Category | Cardiovascular agents
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Primary Indication (Clinical trial phases) | Approved
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Biological Information | |
Primary Indication (Disease Category) | Non Infectious Disease
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Primary Indication (Disease) | Hypercholesterolemia
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Primary Indication (Drug target/Mode of Action) | ATPase family AAA domain-containing protein 2B
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Secondary Indication | Zika virus (ZIKV) NA MEX_I_7 | |
Secondary Indication (Approaches) | Experimental-HTS | |
Secondary Indication (Methods) | In-vitro | |
Secondary Indication (Model system) [cell lines/ animal models] | Huh-7
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Secondary Indication (Mode of viral infection) | Adsorption
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Secondary Indication (Viral titer) | 0.4 MOI
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Secondary Indication (Mode of drug delivery) | Culture
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Secondary Indication (Time of drug delivery) | Pre infection (1 hour)
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Secondary Indication (Duration of drug delivery) | 24-26 hours
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Secondary Indication (Drug concentration) | 13.8 μM
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Secondary Indication (Cell based assay) | Fluorescence-based assay
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Secondary Indication (Change) | Decrease
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Secondary Indication (Type of Inhibition) | Percentage Inhibition [ 57.405 % ] | |
Reference | Barrows NJ, Campos RK, Powell ST, Prasanth KR, Schott-Lerner G, Soto-Acosta R, Galarza-Muñoz.A Screen of FDA-Approved Drugs for Inhibitors of Zika Virus Infection..Cell Host Microbe. 2016 Aug 10;20(2):259-70. doi: 10.1016/j.chom.2016.07.004. Epub 2016 Jul 28. PMID:27476412
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Comment | Several drugs reduced ZIKV infection across multiple cell types. This study identifies drugs that could be tested in clinical studies of ZIKV infection and provides a resource of small molecules to study ZIKV pathogenesis.
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