Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DM0HOEA)

• Drug Name: streptonigrin Drug Info
• Synonyms: rufocromomycin; bruneomycin; nigrin; valacidin; NSC-45383

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Cross-matching ID:
  PubChem CID: 5298
  ChEBI ID: CHEBI:9287
  CAS Number: CAS 3930-19-6
  TTD Drug ID: DM0HOEA

Molecule-Related Drug Atlas

Drug(s) Targeting Peptidyl arginine deiminase type III (PADI3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
PMID24440480C3	DMHQK54	Discovery agent	N.A.	Investigative	[4]
PMID25742366C14b	DMDYT6P	Discovery agent	N.A.	Investigative	[5]
Cl-amidine	DMRV89X	Discovery agent	N.A.	Investigative	[5]

Drug(s) Targeting Peptidyl arginine deiminase type IV (PADI4)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
PMID24440480C3	DMHQK54	Discovery agent	N.A.	Investigative	[4]
PMID25742366C14b	DMDYT6P	Discovery agent	N.A.	Investigative	[5]
Cl-amidine	DMRV89X	Discovery agent	N.A.	Investigative	[5]

Drug(s) Affected By NAD(P)H dehydrogenase 1 (NQO1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[6]
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[7]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[8]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[9]
TECFIDERA	DM2OVDT	Multiple sclerosis	8A40	Approved	[10]
Sulindac	DM2QHZU	Acute myelogenous leukaemia	2A41	Approved	[11]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[12]
Lapatinib	DM3BH1Y	Breast cancer	2C60-2C65	Approved	[13]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[14]
Rofecoxib	DM3P5DA	Osteoarthritis	FA00-FA05	Approved	[15]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Peptidyl arginine deiminase type III (PADI3)	TTSCHFW	PADI3_HUMAN	Inhibitor	[2]
Peptidyl arginine deiminase type IV (PADI4)	TTQHAXM	PADI4_HUMAN	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
NAD(P)H dehydrogenase 1 (NQO1)	OTZGGIVK	NQO1_HUMAN	Drug Response	[3]

References

• [1] A fluopol-ABPP HTS assay to identify PAD inhibitors. Chem Commun (Camb). 2010 Oct 14;46(38):7175-7.
• [2] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2878).
• [3] Modulation of the toxicity and macromolecular binding of benzene metabolites by NAD(P)H:Quinone oxidoreductase in transfected HL-60 cells. Chem Res Toxicol. 1999 Jun;12(6):467-75. doi: 10.1021/tx9800811.
• [4] Insights into the mechanism of streptonigrin-induced protein arginine deiminase inactivation. Bioorg Med Chem. 2014 Feb 15;22(4):1362-9.
• [5] Identification of multiple structurally distinct, nonpeptidic small molecule inhibitors of protein arginine deiminase 3 using a substrate-based fragment method. J Am Chem Soc. 2015 Mar 18;137(10):3616-21.
• [6] Transcriptomics hit the target: monitoring of ligand-activated and stress response pathways for chemical testing. Toxicol In Vitro. 2015 Dec 25;30(1 Pt A):7-18.
• [7] Functional cardiotoxicity assessment of cosmetic compounds using human-induced pluripotent stem cell-derived cardiomyocytes. Arch Toxicol. 2018 Jan;92(1):371-381.
• [8] Cannabidiol induces antioxidant pathways in keratinocytes by targeting BACH1. Redox Biol. 2020 Jan;28:101321. doi: 10.1016/j.redox.2019.101321. Epub 2019 Sep 5.
• [9] Gypenosides protect retinal pigment epithelium cells from oxidative stress. Food Chem Toxicol. 2018 Feb;112:76-85.
• [10] Enhanced cytotoxicity of bioreductive antitumor agents with dimethyl fumarate in human glioblastoma cells. Anticancer Drugs. 2005 Feb;16(2):167-74.
• [11] Growth-suppressive effect of non-steroidal anti-inflammatory drugs on 11 colon-cancer cell lines and fluorescence differential display of genes whose expression is influenced by sulindac. Int J Cancer. 2000 Dec 15;88(6):873-80. doi: 10.1002/1097-0215(20001215)88:6<873::aid-ijc6>3.0.co;2-b.
• [12] Simvastatin protects dopaminergic neurons against MPP+-induced oxidative stress and regulates the endogenous anti-oxidant system through ERK. Cell Physiol Biochem. 2018;51(4):1957-1968.
• [13] P450 3A-catalyzed O-dealkylation of lapatinib induces mitochondrial stress and activates Nrf2. Chem Res Toxicol. 2016 May 16;29(5):784-96.
• [14] Induction of human NAD(P)H:quinone oxidoreductase (NQO1) gene expression by the flavonol quercetin. Toxicol Lett. 2001 Feb 3;119(1):49-57.
• [15] Rofecoxib modulates multiple gene expression pathways in a clinical model of acute inflammatory pain. Pain. 2007 Mar;128(1-2):136-47.