Details of the Drug Combination

General Information of Drug Combination (ID: DCS0LYF)

Drug Combination Name
Mefloquine PPADS
Indication
Disease Entry Status REF
DD2 Investigative [1]
Component Drugs Mefloquine   DMWT905 PPADS   DMWHN3T
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: 19.668
Bliss Independence Score: 12.416
Loewe Additivity Score: 17.7
LHighest Single Agent (HSA) Score: 7.715

Molecular Interaction Atlas of This Drug Combination

Molecular Interaction Atlas (MIA)
Indication(s) of Mefloquine
Disease Entry ICD 11 Status REF
Malaria 1F40-1F45 Approved [2]
Coronavirus Disease 2019 (COVID-19) 1D6Y Phase 2 [3]
Middle East Respiratory Syndrome (MERS) 1D64 Preclinical [4]
Severe acute respiratory syndrome (SARS) 1D65 Preclinical [4]
Progressive multifocal leukoencephalopathy 8A45.02 Investigative [5]
Mefloquine Interacts with 1 DTT Molecule(s)
DTT Name DTT ID UniProt ID Mode of Action REF
Plasmodium 80S ribosome (Malaria 80S) TTT28H3 NOUNIPROTAC Binder [7]
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Mefloquine Interacts with 1 DTP Molecule(s)
DTP Name DTP ID UniProt ID Mode of Action REF
P-glycoprotein 1 (ABCB1) DTUGYRD MDR1_HUMAN Substrate [8]
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Mefloquine Interacts with 1 DME Molecule(s)
DME Name DME ID UniProt ID Mode of Action REF
Cytochrome P450 3A4 (CYP3A4) DE4LYSA CP3A4_HUMAN Metabolism [9]
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Indication(s) of PPADS
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [6]
PPADS Interacts with 3 DTT Molecule(s)
DTT Name DTT ID UniProt ID Mode of Action REF
P2Y purinoceptor 13 (P2RY13) TT1FE3L P2Y13_HUMAN Antagonist [10]
P2Y purinoceptor 1 (P2RY1) TTA93TL P2RY1_HUMAN Antagonist [11]
P2Y purinoceptor 4 (P2RY4) TT24DGP P2RY4_HUMAN Antagonist [6]
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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 FDA Approved Drug Products from FDA Official Website. 2019. Application Number: (NDA) 019578
3 ClinicalTrials.gov (NCT04347031) An Open Randomized Study of the Effectiveness of Mefloquine for the Treatment of Patients With COVID19. U.S. National Institutes of Health.
4 Repurposing of clinically developed drugs for treatment of Middle East respiratory syndrome coronavirus infection. Antimicrob Agents Chemother. 2014 Aug;58(8):4885-93.
5 Mefloquine FDA Label
6 Development of selective agonists and antagonists of P2Y receptors. Purinergic Signal. 2009 Mar;5(1):75-89.
7 An ultrastructural study of the effects of mefloquine on malaria parasites. Am J Trop Med Hyg. 1987 Jan;36(1):9-14.
8 Polymorphisms in human MDR1 (P-glycoprotein): recent advances and clinical relevance. Clin Pharmacol Ther. 2004 Jan;75(1):13-33.
9 Effect of rifampin on plasma concentrations of mefloquine in healthy volunteers. J Pharm Pharmacol. 2000 Oct;52(10):1265-9.
10 Pharmacological characterization of the human P2Y13 receptor. Mol Pharmacol. 2003 Jul;64(1):104-12.
11 Quantitation of the P2Y(1) receptor with a high affinity radiolabeled antagonist. Mol Pharmacol. 2002 Nov;62(5):1249-57.