Details of the Drug Combination

General Information of Drug Combination (ID: DCAV25K)

Drug Combination Name
Thiolactomycin NITD609
Indication
Disease Entry Status REF
DD2 Investigative [1]
Component Drugs Thiolactomycin   DMBAWDG NITD609   DMQHBSX
Small molecular drug Small molecular drug
2D MOL 2D MOL
3D MOL 3D MOL
High-throughput Screening Result Testing Cell Line: DD2
Zero Interaction Potency (ZIP) Score: 1.512
Bliss Independence Score: 4.113
Loewe Additivity Score: 0.576
LHighest Single Agent (HSA) Score: 1.94

Molecular Interaction Atlas of This Drug Combination

Molecular Interaction Atlas (MIA)
Indication(s) of Thiolactomycin
Disease Entry ICD 11 Status REF
Malaria 1F40-1F45 Investigative [2]
Urinary tract infection GC08 Investigative [3]
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 [2]
Plasmodium Enoyl-ACP reductase (Malaria fabI) TTNX2CS Q965D5_PLAFA Inhibitor [5]
Bacterial Beta-ketoacyl-ACP synthase III (Bact fabH) TTRVTMX FABH_ECOLI Binder [6]
Bacterial Oxoacyl-[acyl-carrier-protein] synthase II (Bact fabF) TTRFV0W FABF_ECOLI Binder [2]
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Indication(s) of NITD609
Disease Entry ICD 11 Status REF
Malaria 1F40-1F45 Phase 2 [4]
NITD609 Interacts with 2 DTT Molecule(s)
DTT Name DTT ID UniProt ID Mode of Action REF
Voltage-gated potassium channel Kv11.1 (KCNH2) TTQ6VDM KCNH2_HUMAN Inhibitor [7]
Adenosine A3 receptor (ADORA3) TTJFY5U AA3R_HUMAN Inhibitor [7]
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Test Results of This Drug Combination in Other Disease Systems

Indication DrugCom ID Cell Line Status REF
Hepatoblastoma DCHSP0I HB3 Investigative [8]
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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 Therapeutic target database update 2012: a resource for facilitating target-oriented drug discovery. Nucleic Acids Res. 2012 Jan;40(Database issue):D1128-36.
3 The ChEMBL database in 2017. Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954.
4 ClinicalTrials.gov (NCT01836458) A Study to Find the Minimum Inhibitory Concentration of KAE609 in Adult Male Patients With P. Falciparum Monoinfection. U.S. National Institutes of Health.
5 Novel molecular targets for antimalarial drug development. Chem Biol Drug Des. 2008 Apr;71(4):287-97.
6 The apicoplast as an antimalarial drug target. Drug Resist Updat. 2001 Jun;4(3):145-51.
7 Spiroindolones, a potent compound class for the treatment of malaria. Science. 2010 Sep 3;329(5996):1175-80.
8 Loss of function mutations in VARS encoding cytoplasmic valyl-tRNA synthetase cause microcephaly, seizures, and progressive cerebral atrophy.Hum Genet. 2018 Apr;137(4):293-303. doi: 10.1007/s00439-018-1882-3. Epub 2018 Apr 24.