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Drug-Target Interaction

Drug

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PubChem ID:68827
Structure:
Synonyms:
()-artemisinin
(+)-Arteannuin
(+)-Artemisinin
(3R,5aS,6R,8aS,9R,12S,12aR)-Octahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10(3H)-one
3,12-Epoxy-12H-pyranol(4,3-j)-1,2-benzodioxepin-10(3H)-one, octahydro-3,6,9-trimethyl-, (3-alpha,5a-beta,6-beta,8a-beta,9-alpha,12-beta,12aR*)-(+)-
63968-64-9
Ambap3664
Arteannuin
Artemisia annua L., extract
Artemisine
Artemisinin
Artemisinin [INN]
Artemisinina
Artemisinina [Spanish]
Artemisinine
Artemisinine [French]
Artemisininum
Artemisininum [Latin]
Artesin
BPBio1_000435
BRN 4194670
BSPBio_000395
BSPBio_002998
C15H22O5
Cotexin
CPD-7086
DivK1c_000656
Huanghuahaosu
IDI1_000656
KBio1_000656
KBio2_001831
KBio2_004399
KBio2_006967
KBio3_002498
KBioGR_000982
KBioSS_001831
LMPR0103190003
LS-64242
MLS001097650
MLS001304036
MLS002153846
NINDS_000656
NSC 369397
Octahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-1
Octahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10(3H)-one
Prestwick0_000498
Prestwick1_000498
Prestwick2_000498
Prestwick3_000498
Qing Hau Sau
Qing Hau Sau [Chinese]
Qing Hau SU
Qinghaosu
Qinghaosu [Chinese]
Qinghosu
quing hau sau
quinghaosu
SMR000578089
SPBio_001583
SPBio_002316
Spectrum2_001512
Spectrum3_001549
Spectrum4_000721
Spectrum5_001098
Spectrum_001351
ZINC08143788
ATC-Codes:

Target

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Uniprot ID:CP1A2_HUMAN
Synonyms:
CYPIA2
Cytochrome P450 1A2
P(3)450
P450 4
P450-P3
EC-Numbers:1.14.14.1
Organism:Homo sapiens
Human
PDB IDs:2HI4
Structure:
2HI4

Binding Affinities:

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

References:

11124226
16261361
Artemisinin and thiabendazole are potent inhibitors of cytochrome P450 1A2 (CYP1A2) activity in humans.. Tashinga E Bapiro; Jane Sayi; Julia A Hasler; Mary Jande; Gerald Rimoy; Amos Masselle; Collen M Masimirembwa (2005) European journal of clinical pharmacology display abstract
OBJECTIVE: To investigate the likelihood of artemisinin and thiabendazole causing pharmacokinetic interactions involving cytochrome P450 (CYP1A2) in humans given their potent inhibitory effects on the isoform in vitro. METHODS: Ten healthy volunteers received caffeine (136.5 mg), and after a washout period of 48 h, the volunteers were given a caffeine tablet (136.5 mg) together with thiabendazole (500 mg). After an additional 14 days, the volunteers received caffeine together with artemisinin (500 mg). After each treatment, plasma was obtained up to 24 h post-dose. The plasma concentrations of the drugs were measured by HPLC with UV and MS detection. RESULTS: Using the ratio of paraxanthine to caffeine after 4 h as an indicator of CYP1A2 activity, thiabendazole and artemisinin inhibited 92 and 66%, respectively, of the enzyme activity in vivo. In addition, the pharmacokinetics of caffeine were altered in the presence of the drugs; increases in AUC(0-24) of 1.6-fold (P < 0.01) and 1.3-fold of caffeine in the presence of thiabendazole and artemisinin respectively were measured. The use of in vitro data to predict the effects of thiabendazole on the formation of paraxanthine yielded good results and underestimated the effects of artemisinin when total plasma concentrations were used. Corrections for protein binding resulted in underestimation of inhibitory effects on CYP1A2. CONCLUSIONS: Co-administration of thiabendazole or artemisinin with CYP1A2 substrates could result in clinically significant effects. Our results highlight the validity of in vitro data in predicting in vivo CYP inhibition. The formation of paraxanthine seems to be a better indicator of in vivo CYP1A2 activity than caffeine levels.
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