Details of the Drug Combination

General Information of Drug Combination (ID: DCYVO5F)

Drug Combination Name
Dihydroergotamine Thiolactomycin
Indication
Disease Entry Status REF
Hepatoblastoma Investigative [1]
Component Drugs Dihydroergotamine   DM5IKUF Thiolactomycin   DMBAWDG
Small molecular drug Small molecular drug
2D MOL 2D MOL
3D MOL 3D MOL
High-throughput Screening Result Testing Cell Line: HB3
Zero Interaction Potency (ZIP) Score: 15.851
Bliss Independence Score: 20.85
Loewe Additivity Score: 3.756
LHighest Single Agent (HSA) Score: 6.071

Molecular Interaction Atlas of This Drug Combination

Molecular Interaction Atlas (MIA)
Indication(s) of Dihydroergotamine
Disease Entry ICD 11 Status REF
Cluster headache 8A81.0 Approved [2]
Migraine 8A80 Approved [3]
Migraine disorder N.A. Approved [2]
Dihydroergotamine Interacts with 1 DTT Molecule(s)
DTT Name DTT ID UniProt ID Mode of Action REF
Dopamine D2 receptor (D2R) TTEX248 DRD2_HUMAN Agonist [6]
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Dihydroergotamine Interacts with 1 DME Molecule(s)
DME Name DME ID UniProt ID Mode of Action REF
Cytochrome P450 3A4 (CYP3A4) DE4LYSA CP3A4_HUMAN Metabolism [7]
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Indication(s) of Thiolactomycin
Disease Entry ICD 11 Status REF
Malaria 1F40-1F45 Investigative [4]
Urinary tract infection GC08 Investigative [5]
Thiolactomycin Interacts with 4 DTT Molecule(s)
DTT Name DTT ID UniProt ID Mode of Action REF
Bacterial Beta-ketoacyl-ACP synthase I (Bact fabB) TT0O4QL FABB_ECOL6 Binder [4]
Plasmodium Enoyl-ACP reductase (Malaria fabI) TTNX2CS Q965D5_PLAFA Inhibitor [8]
Bacterial Beta-ketoacyl-ACP synthase III (Bact fabH) TTRVTMX FABH_ECOLI Binder [9]
Bacterial Oxoacyl-[acyl-carrier-protein] synthase II (Bact fabF) TTRFV0W FABF_ECOLI Binder [4]
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References

1 Recurrent recessive mutation in deoxyguanosine kinase causes idiopathic noncirrhotic portal hypertension.Hepatology. 2016 Jun;63(6):1977-86. doi: 10.1002/hep.28499. Epub 2016 Mar 31.
2 Dihydroergotamine FDA Label
3 Sustained pain relief with dihydroergotamine in migraine is potentially due to persistent binding to 5-HT1B and 5-HT1D receptors. . The Journal of Headache and Pain 201314(Suppl 1):P75.
4 Therapeutic target database update 2012: a resource for facilitating target-oriented drug discovery. Nucleic Acids Res. 2012 Jan;40(Database issue):D1128-36.
5 The ChEMBL database in 2017. Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954.
6 Current and prospective pharmacological targets in relation to antimigraine action. Naunyn Schmiedebergs Arch Pharmacol. 2008 Oct;378(4):371-94.
7 CYP2D6 and CYP3A4 involvement in the primary oxidative metabolism of hydrocodone by human liver microsomes. Br J Clin Pharmacol. 2004 Mar;57(3):287-97.
8 Novel molecular targets for antimalarial drug development. Chem Biol Drug Des. 2008 Apr;71(4):287-97.
9 The apicoplast as an antimalarial drug target. Drug Resist Updat. 2001 Jun;4(3):145-51.