Palmatine
From DrugPedia: A Wikipedia for Drug discovery
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==Description== | ==Description== | ||
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| + | The cytotoxic plant alkaloid palmatine was found to bind strongly by partial intercalation to single stranded poly(A) structure with binding affinity (Ka) of (8.36 ± 0.26) × 105 M−1. The binding of palmatine was characterized to be exothermic and enthalpy driven with one palmatine for every two adenine residues. On the other hand, the binding to the double stranded poly(A) has been found to be significantly weak. This study identifies poly(A) as a potential bio-target for the alkaloid palmatine and its use as a lead compound in antitumor drug screening. | ||
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| + | Palmatine, the plant alkaloid, binds strongly to single stranded (ss) poly(A) by mechanism of partial intercalation, leading to its usefulness in inhibition of gene expression in eukaryotic cells. | ||
==General Properties== | ==General Properties== | ||
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2096 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2096 Link to BIAdb Database] | ||
| + | [[Category:BIAdb_old]] | ||
Current revision
| Palmatine
| |
| Systematic (IUPAC) name | |
| 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-iumchloride | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C21H22ClNO4 |
| Mol. mass | 387.85668 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
[edit] Description
The cytotoxic plant alkaloid palmatine was found to bind strongly by partial intercalation to single stranded poly(A) structure with binding affinity (Ka) of (8.36 ± 0.26) × 105 M−1. The binding of palmatine was characterized to be exothermic and enthalpy driven with one palmatine for every two adenine residues. On the other hand, the binding to the double stranded poly(A) has been found to be significantly weak. This study identifies poly(A) as a potential bio-target for the alkaloid palmatine and its use as a lead compound in antitumor drug screening.
Palmatine, the plant alkaloid, binds strongly to single stranded (ss) poly(A) by mechanism of partial intercalation, leading to its usefulness in inhibition of gene expression in eukaryotic cells.
[edit] General Properties
*Molecular Weight
387.85668
*Molecular Formula
C21H22ClNO4
*IUPAC NAME
2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-iumchloride
*Canonical Smiles
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OC.[Cl-]
*Isomeric Smiles
N/A
*XLogP
N/A
*Topological Polar Surface Area
40.8
