Details of the Drug Combination

General Information of Drug Combination (ID: DCLJF1G)

Drug Combination Name
Ginsenoside Rb1 Estramustine
Indication
Disease Entry Status REF
Chronic myelogenous leukemia Investigative [1]
Component Drugs Ginsenoside Rb1   DMF70AB Estramustine   DMWTAOI
N.A. Small molecular drug
2D MOL 2D MOL
3D MOL is unavailable 3D MOL
High-throughput Screening Result Testing Cell Line: KBM-7
Zero Interaction Potency (ZIP) Score: 47.9
Bliss Independence Score: 47.9
Loewe Additivity Score: 59.61
LHighest Single Agent (HSA) Score: 59.61

Molecular Interaction Atlas of This Drug Combination

Molecular Interaction Atlas (MIA)
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 [3]
Beta-glucosidase (bglA) DE4LKZ9 A0A3D1ZWL4_9BIFI Metabolism [3]
Beta-glucosidase (bglA) DEM6GYO A0A351PC96_9FIRM Metabolism [4], [3]
Beta-glucosidase (bglA) DE9N4OU C6WCL5_ACTMD Metabolism [5]
Beta-glucosidase (bglA) DERPJZ6 A0A4Q4LS82_BIFAN Metabolism [6]
Beta-glucosidase (bglA) DEVLXCG R7LVY8_9FUSO Metabolism [3]
Beta-glucosidase (bglA) DEUQTKA A0A249DCH3_LACRH Metabolism [6]
Beta-glucosidase (bglA) DEXRUS1 A0A267WL33_9BIFI Metabolism [7]
Beta-glucosidase (bglA) DERX7ML A0A3B8TKP6_9FIRM Metabolism [7]
Beta-glucosidase (bglA) DEOHI3U A0A0P0FEZ9_BACT4 Metabolism [7]
Beta-glucosidase (bglA) DE46IH1 A0A1T4QCU7_9PROT Metabolism [8]
Beta-glucosidase (bglA) DEE8WXK A0A076JJU4_BIFAD Metabolism [7]
Beta-glucosidase (bglA) DECBSVP A0A126SWK8_9BIFI Metabolism [7]
Beta-glucosidase (bglA) DEAVLU4 BGLFU_BIFBR Metabolism [7]
Beta-glucosidase (bglA) DEPBQES BGLS_BUTFI Metabolism [7]
Beta-glucosidase (bglA) DEGVUWH A0A174JG46_9FIRM Metabolism [7]
Beta-glucosidase (bglA) DEE8RS0 A0A174GPV4_9FIRM Metabolism [7]
Beta-glucosidase (bglA) DEC0M8H A0A174ZK85_9FIRM Metabolism [7]
Beta-glucosidase (bglA) DE2OMS0 A0A173UNF6_9FIRM Metabolism [7]
Beta-glucosidase (bglA) DEPUNVR A0A395V8H8_9FIRM Metabolism [7]
Beta-glucosidase (bglA) DEX7SAW A0A3R6A2W5_9FIRM Metabolism [7]
Beta-glucosidase (bglA) DEE3I1P A0A412BAD0_9FIRM Metabolism [7]
Beta-glucosidase (bglA) DEASJG5 A5ZMW4_9FIRM Metabolism [7]
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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 [9]
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Indication(s) of Estramustine
Disease Entry ICD 11 Status REF
Prostate cancer 2C82.0 Approved [2]
Estramustine Interacts with 1 DTT Molecule(s)
DTT Name DTT ID UniProt ID Mode of Action REF
Estramustine binding protein (EMBP) TTSBFYK NOUNIPROTAC Binder [10]
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Estramustine Interacts with 1 DME Molecule(s)
DME Name DME ID UniProt ID Mode of Action REF
Cytochrome P450 3A4 (CYP3A4) DE4LYSA CP3A4_HUMAN Metabolism [11]
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Estramustine Interacts with 1 DOT Molecule(s)
DOT Name DOT ID UniProt ID Mode of Action REF
Keratin, type I cytoskeletal 18 (KRT18) OTVLQFIP K1C18_HUMAN Increases Expression [12]
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References

1 CheMBL Affinity Phenotypic Cellular Interaction Assay ID: CHEMBL1125966
2 Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77.
3 Constitutive beta-glucosidases hydrolyzing ginsenoside Rb1 and Rb2 from human intestinal bacteria. Biol Pharm Bull. 2000 Dec;23(12):1481-5.
4 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.
5 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.
6 Fermentation of protopanaxadiol type ginsenosides (PD) with probiotic Bifidobacterium lactis and Lactobacillus rhamnosus. Appl Microbiol Biotechnol. 2017 Jul;101(13):5427-5437.
7 Developing a metagenomic view of xenobiotic metabolism. Pharmacol Res. 2013 Mar;69(1):21-31.
8 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.
9 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.
10 Estramustine binding protein in primary tumours and metastases of malignant melanoma. Melanoma Res. 1994 Dec;4(6):401-5.
11 Activity of docetaxel with or without estramustine phosphate versus mitoxantrone in androgen dependent and independent human prostate cancer xenografts. J Urol. 2003 May;169(5):1729-34.
12 Docetaxel induces apoptosis in hormone refractory prostate carcinomas during multiple treatment cycles. Br J Cancer. 2006 Jun 5;94(11):1592-8. doi: 10.1038/sj.bjc.6603129.