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BioAssay: AID 641102

Inhibition of Hepatitic C virus NS3/4A protease by FRET assay

Four new polyphenols namely excoecariphenols A-D (1-4) were isolated from the Chinese mangrove plant Excoecaria agallocha L. together with 23 known phenolic compounds. The structures of new compounds were elucidated on the basis of extensive spectroscopic analyses including IR, MS, NMR, and CD data. Excoecariphenols A and B presented as the unusual flavane-based 1-thioglycosides. Part of the more ..
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 Tested Compounds
 Tested Compounds
All(21)
 
 
Active(5)
 
 
Unspecified(16)
 
 
 Tested Substances
 Tested Substances
All(21)
 
 
Active(5)
 
 
Unspecified(16)
 
 
 Related BioAssays
 Related BioAssays
AID: 641102
Data Source: ChEMBL (798550)
Depositor Category: Literature, Extracted
BioAssay Version:
Deposit Date: 2012-09-09
Modify Date: 2013-07-15

Data Table ( Complete ):           Active    All
BioActive Compounds: 5
Description:
Title: Inhibitory effects of polyphenols toward HCV from the mangrove plant Excoecaria agallocha L.

Abstract: Four new polyphenols namely excoecariphenols A-D (1-4) were isolated from the Chinese mangrove plant Excoecaria agallocha L. together with 23 known phenolic compounds. The structures of new compounds were elucidated on the basis of extensive spectroscopic analyses including IR, MS, NMR, and CD data. Excoecariphenols A and B presented as the unusual flavane-based 1-thioglycosides. Part of the isolated polyphenols were tested against hepatitis C NS3-4A protease and HCV RNA in huh 7.5 cells. Excoecariphenol D, corilagin, geraniin, and chebulagic acid showed potential inhibition toward HCV NS3-4A protease with IC(50) values in a range of 3.45-9.03muM, while excoecariphenol D and corilagin inhibited HCV RNA in huh 7.5 cells significantly. A primary structure-activity relationship (SAR) is discussed.
(PMID: 22196120)
Comment
Compounds with activity <= 50uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Putative Target:

ChEMBL Target ID: 22226
Target Type: UNCHECKED
Pref Name: Unchecked
Confidence: Default value - Target unknown or has yet to be assigned
Relationship Type: Default value - Target has yet to be curated
Categorized Comment
ChEMBL Assay Type: Binding

ChEMBL Assay Data Source: Scientific Literature

Result Definitions
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TIDNameDescriptionHistogramTypeUnit
OutcomeThe BioAssay activity outcomeOutcome
1IC50*IC50 PubChem standard valueFloatμM
2IC50 activity commentIC50 activity commentString
3IC50 standard flagIC50 standard flagInteger
4IC50 qualifierIC50 qualifierString
5IC50 published valueIC50 published valueFloatμM
6IC50 standard valueIC50 standard valueFloatnM
7IC50 activity commentIC50 activity commentString
8IC50 standard flagIC50 standard flagInteger
9IC50 qualifierIC50 qualifierString
10IC50 published valueIC50 published valueFloatug ml-1
11IC50 standard valueIC50 standard valueFloatug.mL-1

* Activity Concentration.

Data Table (Concise)
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