Details of the Drug Combination

General Information of Drug Combination (ID: DCM38C4)

Drug Combination Name
Gentian violet Clindamycin
Indication
Disease Entry Status REF
Hepatoblastoma Investigative [1]
Component Drugs Gentian violet   DMAPVRR Clindamycin   DM15HL8
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: 7.2
Bliss Independence Score: 6.959
Loewe Additivity Score: 7.574
LHighest Single Agent (HSA) Score: 9.114

Molecular Interaction Atlas of This Drug Combination

Molecular Interaction Atlas (MIA)
Indication(s) of Gentian violet
Disease Entry ICD 11 Status REF
Bacterial infection 1A00-1C4Z Approved [2]
Indication(s) of Clindamycin
Disease Entry ICD 11 Status REF
Acne vulgaris ED80 Approved [2]
Aspiration pneumonia N.A. Approved [3]
Bacteremia 1A73 Approved [3]
Bacterial vaginosis MF3A Approved [3]
Pleural empyema N.A. Approved [3]
Staphylococcal pneumonia N.A. Approved [3]
Staphylococcus aureus infection N.A. Approved [3]
Streptococcal pneumonia N.A. Approved [3]
Pelvic inflammatory disease GA05 Investigative [3]
Clindamycin Interacts with 1 DTT Molecule(s)
DTT Name DTT ID UniProt ID Mode of Action REF
Bacterial 50S ribosomal RNA (Bact 50S rRNA) TTUWYEA NOUNIPROTAC Binder [4]
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Clindamycin Interacts with 2 DME Molecule(s)
DME Name DME ID UniProt ID Mode of Action REF
Cytochrome P450 3A4 (CYP3A4) DE4LYSA CP3A4_HUMAN Metabolism [5]
Beta-lactamase (blaB) DEMSNER A4LA84_EDWTA Metabolism [6]
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Clindamycin Interacts with 4 DOT Molecule(s)
DOT Name DOT ID UniProt ID Mode of Action REF
Cytochrome P450 3A4 (CYP3A4) OTQGYY83 CP3A4_HUMAN Increases Expression [7]
HLA class II histocompatibility antigen, DRB1 beta chain (HLA-DRB1) OTRGGIFP DRB1_HUMAN Affects Expression [8]
HLA class I histocompatibility antigen, alpha chain E (HLA-E) OTX1CTFB HLAE_HUMAN Affects Expression [8]
Collagenase 3 (MMP13) OTY8BZIE MMP13_HUMAN Increases Expression [9]
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References

1 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.
2 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
3 Clindamycin FDA Label
4 Structural basis for the interaction of antibiotics with the peptidyl transferase centre in eubacteria. Nature. 2001 Oct 25;413(6858):814-21.
5 In vitro metabolism of clindamycin in human liver and intestinal microsomes. Drug Metab Dispos. 2003 Jul;31(7):878-87.
6 Comparison of antimicrobial susceptibility, beta-lactamase production, plasmid analysis and serum bactericidal activity in Edwardsiella tarda, E. ictaluri and E. hoshinae. J Med Microbiol. 1993 Oct;39(4):273-81.
7 A comprehensive in vitro and in silico analysis of antibiotics that activate pregnane X receptor and induce CYP3A4 in liver and intestine. Drug Metab Dispos. 2008 Aug;36(8):1689-97.
8 Systems pharmacological analysis of drugs inducing stevens-johnson syndrome and toxic epidermal necrolysis. Chem Res Toxicol. 2015 May 18;28(5):927-34. doi: 10.1021/tx5005248. Epub 2015 Apr 3.
9 Chloramphenicol causes mitochondrial stress, decreases ATP biosynthesis, induces matrix metalloproteinase-13 expression, and solid-tumor cell invasion. Toxicol Sci. 2010 Jul;116(1):140-50. doi: 10.1093/toxsci/kfq085. Epub 2010 Mar 25.