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Drug-Target Interaction

Drug

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PubChem ID:16741
Structure:
Synonyms:
(2-Isothiocyanato-ethyl)-benzene
(2-isothiocyanatoethyl)benzene
.beta.-Phenethyl isothiocyanate
.beta.-Phenylethyl isothiocyanate
1-(2-isothiocyanatoethyl)benzene
2-isothiocyanatoethylbenzene
2-phenethyl isothiocyanate
2-phenyl ethyl isothiocyanate
2-Phenylethyl isothiocyanate
2-phenylethylisothiocyanate
2257-09-2
253731_ALDRICH
4-12-00-02476 (Beilstein Handbook Reference)
A-Phenethyl isothiocyanate
AB1006056
AC-12769
AC1L28L3
AKOS000119469
b-phenylethyl isothiocyanate
BB_SC-1856
Benzene, (2-isothiocyanatoethyl)-
beta-Phenethyl isothiocyanate
beta-phenethylisothiocyanate
beta-Phenylethyl isothiocyanate
BRN 2084162
C058305
C9H9NS
CCRIS 3146
CHEBI:351346
CHEMBL151649
EINECS 218-855-5
HMS1783C17
I01-3453
I01-8790
Isothiocyanic Acid 2-Phenylethyl Ester
Isothiocyanic acid beta-phenylethyl ester
Isothiocyanic acid, phenethyl ester
IZJDOKYDEWTZSO-UHFFFAOYSA-
LS-7646
MolPort-000-146-876
NCGC00248526-01
NCI60_041942
NSC 87868
NSC87868
P0986
PEITC
PEITC compound
Phenethyl isothiocyanate
Phenethyl mustard oil
Phenylaethylsenfoel
Phenylaethylsenfoel [German]
Phenylethyl isothiocyanate
Phenylethyl mustard oil
STK397325
W401404_ALDRICH
WLN: SCN2R
ZERO/008133
ZINC02022074

Target

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Uniprot ID:CP1A1_HUMAN
Synonyms:
CYPIA1
Cytochrome P450 1A1
P450 form 6
P450-C
P450-P1
EC-Numbers:1.14.14.1
Organism:Homo sapiens
Human
PDB IDs:-

Binding Affinities:

Ki: Kd:Ic 50:Ec50/Ic50:
----

References:

17582584
Protective effects of isothiocyanates alone or in combination with vitamin C towards N-nitrosodibutylamine or N-nitrosopiperidine-induced oxidative DNA damage in the single-cell gel electrophoresis (SCGE)/HepG2 assay.. Almudena García; Ana I Haza; Nuria Arranz; Joseph Rafter; Paloma Morales (2008) Journal of applied toxicology : JAT display abstract
The aim of this study was to investigate the protective effect of isothiocyanates alone or in combination with vitamin C towards N-nitrosodibutylamine (NDBA) or N-nitrosopiperidine (NPIP)-induced oxidative DNA damage in the single cell gel electrophoresis (SCGE)/HepG2 assay. Phenethyl isothiocyanate (PEITC) and indole-3-carbinol (I3C) alone showed a weak protective effect towards NDBA (0.1 microm, 26-27%, respectively) or NPIP (1 microm, 26-28%, respectively)-induced oxidative DNA damage. Allyl isothiocyanate (AITC) alone did not attenuate the genotoxic effect provoked by NDBA or NPIP. In contrast, HepG2 cells simultaneously treated with PEITC, I3C and AITC in combination with vitamin C showed a stronger inhibition of oxidative DNA-damage induced by NDBA (0.1 microm, 67%, 42%, 32%, respectively) or NPIP (1 microm, 50%, 73%, 63%, respectively) than isothiocyanates (ITCs) alone. One feasible mechanism by which ITCs alone or in combination with vitamin C exert their protective effects towards N-nitrosamine-induced oxidative DNA damage could be by the inhibition of their cytochrome P450 dependent bioactivation. PEITC and I3C strongly inhibited the p-nitrophenol hydroxylation (CYP2E1) activity (0.1 microm, 66-50%, respectively), while the coumarin hydroxylase (CYP2A6) activity was slightly reduced (0.1 microm, 25-37%, respectively). However, the ethoxyresorufin O-deethylation (CYP1A1) activity was only inhibited by PEITC (1 microm, 55%). The results indicate that PEITC and I3C alone or PEITC, I3C and AITC in combination with vitamin C protects human-derived cells against the oxidative DNA damaging effects of NDBA and NPIP, two food carcinogenic compounds.