Details of the Drug Combination

General Information of Drug Combination (ID: DCX26CD)

Drug Combination Name
NARINGENIN Ginsenoside Rb1
Indication
Disease Entry Status REF
Chronic myelogenous leukemia Investigative [1]
Component Drugs NARINGENIN   DMHAZLM Ginsenoside Rb1   DMF70AB
Small molecular drug N.A.
2D MOL 2D MOL
3D MOL 3D MOL is unavailable
High-throughput Screening Result Testing Cell Line: KBM-7
Zero Interaction Potency (ZIP) Score: 42.99
Bliss Independence Score: 42.99
Loewe Additivity Score: 55.7
LHighest Single Agent (HSA) Score: 55.72

Molecular Interaction Atlas of This Drug Combination

Molecular Interaction Atlas (MIA)
NARINGENIN Interacts with 5 DTT Molecule(s)
DTT Name DTT ID UniProt ID Mode of Action REF
Aromatase (CYP19A1) TTSZLWK CP19A_HUMAN Inhibitor [2]
Estradiol 17 beta-dehydrogenase 1 (17-beta-HSD1) TTIWB6L DHB1_HUMAN Inhibitor [3]
Estrogen receptor beta (ESR2) TTOM3J0 ESR2_HUMAN Inhibitor [4]
Lactoylglutathione lyase (GLO1) TTV9A7R LGUL_HUMAN Inhibitor [5]
Cytochrome P450 1B1 (CYP1B1) TTI84H7 CP1B1_HUMAN Inhibitor [6]
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NARINGENIN Interacts with 1 DTP Molecule(s)
DTP Name DTP ID UniProt ID Mode of Action REF
P-glycoprotein 1 (ABCB1) DTUGYRD MDR1_HUMAN Substrate [7]
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NARINGENIN Interacts with 1 DME Molecule(s)
DME Name DME ID UniProt ID Mode of Action REF
Cytochrome P450 105D7 (cyp105) DECV2ME CYP28_STRAW Metabolism [8]
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Ginsenoside Rb1 Interacts with 23 DME Molecule(s)
DME Name DME ID UniProt ID Mode of Action REF
Beta-glucosidase (bglA) DEUO7V8 A0A509DD13_9STRE Metabolism [9]
Beta-glucosidase (bglA) DE4LKZ9 A0A3D1ZWL4_9BIFI Metabolism [9]
Beta-glucosidase (bglA) DEM6GYO A0A351PC96_9FIRM Metabolism [10], [9]
Beta-glucosidase (bglA) DE9N4OU C6WCL5_ACTMD Metabolism [11]
Beta-glucosidase (bglA) DERPJZ6 A0A4Q4LS82_BIFAN Metabolism [12]
Beta-glucosidase (bglA) DEVLXCG R7LVY8_9FUSO Metabolism [9]
Beta-glucosidase (bglA) DEUQTKA A0A249DCH3_LACRH Metabolism [12]
Beta-glucosidase (bglA) DEXRUS1 A0A267WL33_9BIFI Metabolism [13]
Beta-glucosidase (bglA) DERX7ML A0A3B8TKP6_9FIRM Metabolism [13]
Beta-glucosidase (bglA) DEOHI3U A0A0P0FEZ9_BACT4 Metabolism [13]
Beta-glucosidase (bglA) DE46IH1 A0A1T4QCU7_9PROT Metabolism [14]
Beta-glucosidase (bglA) DEE8WXK A0A076JJU4_BIFAD Metabolism [13]
Beta-glucosidase (bglA) DECBSVP A0A126SWK8_9BIFI Metabolism [13]
Beta-glucosidase (bglA) DEAVLU4 BGLFU_BIFBR Metabolism [13]
Beta-glucosidase (bglA) DEPBQES BGLS_BUTFI Metabolism [13]
Beta-glucosidase (bglA) DEGVUWH A0A174JG46_9FIRM Metabolism [13]
Beta-glucosidase (bglA) DEE8RS0 A0A174GPV4_9FIRM Metabolism [13]
Beta-glucosidase (bglA) DEC0M8H A0A174ZK85_9FIRM Metabolism [13]
Beta-glucosidase (bglA) DE2OMS0 A0A173UNF6_9FIRM Metabolism [13]
Beta-glucosidase (bglA) DEPUNVR A0A395V8H8_9FIRM Metabolism [13]
Beta-glucosidase (bglA) DEX7SAW A0A3R6A2W5_9FIRM Metabolism [13]
Beta-glucosidase (bglA) DEE3I1P A0A412BAD0_9FIRM Metabolism [13]
Beta-glucosidase (bglA) DEASJG5 A5ZMW4_9FIRM Metabolism [13]
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⏷ Show the Full List of 23 DME(s)
Ginsenoside Rb1 Interacts with 1 DOT Molecule(s)
DOT Name DOT ID UniProt ID Mode of Action REF
Potassium voltage-gated channel subfamily E member 1 (KCNE1) OTZNQUW9 KCNE1_HUMAN Increases Expression [15]
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References

1 CheMBL Affinity Phenotypic Cellular Interaction Assay ID: CHEMBL1125966
2 Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19). Bioorg Med Chem Lett. 2010 May 15;20(10):3050-64.
3 Discovery of nonsteroidal 17beta-hydroxysteroid dehydrogenase 1 inhibitors by pharmacophore-based screening of virtual compound libraries. J Med Chem. 2008 Jul 24;51(14):4188-99.
4 Subtle side-chain modifications of the hop phytoestrogen 8-prenylnaringenin result in distinct agonist/antagonist activity profiles for estrogen re... J Med Chem. 2006 Dec 14;49(25):7357-65.
5 Structure-activity relationship of human GLO I inhibitory natural flavonoids and their growth inhibitory effects. Bioorg Med Chem. 2008 Apr 1;16(7):3969-75.
6 Selective inhibition of methoxyflavonoids on human CYP1B1 activity. Bioorg Med Chem. 2010 Sep 1;18(17):6310-5.
7 Flavonoid permeability across an in situ model of the blood-brain barrier. Free Radic Biol Med. 2004 Mar 1;36(5):592-604.
8 The metagenome of Caracolus marginella gut microbiome using culture independent approaches and shotgun sequencing. Data Brief. 2017 Nov 22;16:501-505.
9 Constitutive beta-glucosidases hydrolyzing ginsenoside Rb1 and Rb2 from human intestinal bacteria. Biol Pharm Bull. 2000 Dec;23(12):1481-5.
10 Intestinal bacterial hydrolysis is required for the appearance of compound K in rat plasma after oral administration of ginsenoside Rb1 from Panax ginseng. J Pharm Pharmacol. 1998 Oct;50(10):1155-60.
11 Characterization of the ginsenoside-transforming recombinant beta-glucosidase from Actinosynnema mirum and bioconversion of major ginsenosides into minor ginsenosides. Appl Microbiol Biotechnol. 2013 Jan;97(2):649-59.
12 Fermentation of protopanaxadiol type ginsenosides (PD) with probiotic Bifidobacterium lactis and Lactobacillus rhamnosus. Appl Microbiol Biotechnol. 2017 Jul;101(13):5427-5437.
13 Developing a metagenomic view of xenobiotic metabolism. Pharmacol Res. 2013 Mar;69(1):21-31.
14 Genus Enhydrobacter Staley et al. 1987 should be recognized as a member of the family Rhodospirillaceae within the class Alphaproteobacteria. Microbiol Immunol. 2012 Jan;56(1):21-6.
15 Ginsenosides may enhance the functionality of human embryonic stem cell-derived cardiomyocytes in vitro. Reprod Sci. 2014 Oct;21(10):1312-8. doi: 10.1177/1933719114525269. Epub 2014 Mar 10.