Chemical, Structural, Clinical and Biological details of Antiviral agents ID: DrugRepV_3200



Chemical Information
Antiviral agent IDDrugRepV_3200
Antiviral agent nameAndrographolide Drug Bank
IUPAC Name(3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one PubChem
SMILES (canonical)CC12CCC(C(C1CCC(=C)C2CC=C3C(COC3=O)O)(C)CO)O PubChem
SMILES (isomeric)C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2C/C=C/3\[C@@H](COC3=O)O)(C)CO)O PubChem
Molecular FormulaC20H30O5 PubChem
Molecular Weight (g/mol)350.455 PubChem
InChlInChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1 PubChem
Common NameAndrographolide Drug Bank
Structural Information
  
Clinical Information
Primary Indication (Clinical trial phases)Investigational Drug Bank
Biological Information
Primary Indication (Disease Category) Infectious Disease
Primary Indication (Disease)Ulcerative colitis and Upper respiratory tract infection
Secondary Indication Chikungunya virus (CHIKV) NA E1:226VTWorld Health OrganisationCDC
Secondary Indication (Approaches)Experimental
Secondary Indication (Methods)In-vitro
Secondary Indication (Model system) [cell lines/ animal models]HepG2
Secondary Indication (Mode of viral infection)Adsorption
Secondary Indication (Mode of drug delivery) Culture
Secondary Indication (Time of drug delivery) Pre infection
Secondary Indication (Duration of drug delivery)24 hours
Secondary Indication (Drug concentration)100 μM
Secondary Indication (Cell based assay)Flow cytometry
Secondary Indication (Change)Decrease
Secondary Indication (Type of Inhibition) Percentage inhibition [ 90 % ]
ReferenceWintachai P, Kaur P, Lee RC, Ramphan S, Kuadkitkan A, Wikan N, Ubol S, Roytrakul S, Chu JJ, Smith DR.Activity of andrographolide against chikungunya virus infection..Sci Rep. 2015 Sep 18;5:14179. doi: 10.1038/srep14179. PMID:26384169 PubMed
CommentAndrographolide showed good inhibition of CHIKV infection and reduced virus production by approximately 3log10 with a 50% effective concentration (EC50) of 77?M without cytotoxicity. Time- of-addition and RNA transfection studies showed that andrographolide affected CHIKV replication and the activity of andrographolide was shown to be cell type independent.