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

General Information of Drug (ID: DMDUGQ1)

• Drug Name: Trypanothione Drug Info

Indication

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

• Cross-matching ID:
  PubChem CID: 115098
  ChEBI ID: CHEBI:35490
  CAS Number: CAS 96304-42-6
  TTD Drug ID: DMDUGQ1

Molecule-Related Drug Atlas

Drug(s) Targeting Trypanosoma Trypanothione reductase (Trypano TPR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Vitamin A	DMJ2AH4	Night blindness	9D45	Approved	[3]
Bivalirudin	DMECRX1	Thrombocytopenia	3B64	Approved	[4]
Flavin-Adenine Dinucleotide	DM5S4GK	Discovery agent	N.A.	Investigative	[1]
CONESSINE	DM4VYP0	Discovery agent	N.A.	Investigative	[5]
Maleic Acid	DM4L0R7	Discovery agent	N.A.	Investigative	[6]
1-(2'-chlorophenyl)penta-1,4-dien-3-one	DMKTZSY	Discovery agent	N.A.	Investigative	[7]
CEPHARANTINE	DMCE3NA	Discovery agent	N.A.	Investigative	[5]
N-(5-chloro-2-(phenylthio)phenyl)butyramide	DMHZ256	Discovery agent	N.A.	Investigative	[8]
N1,N2-bis(dihydrocaffeoyl)spermine	DMSDVGQ	Discovery agent	N.A.	Investigative	[5]

Drug(s) Affected By Arginase-1 (ARG1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[9]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[10]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[11]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[12]
Hydroquinone	DM6AVR4	Melasma	ED60.1	Approved	[13]
Testosterone	DM7HUNW	Hot flushes	GA30	Approved	[14]
Calcitriol	DM8ZVJ7	Congenital alopecia	LC30	Approved	[14]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[15]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[16]
Cholecalciferol	DMGU74E	Adult acute monocytic leukemia		Approved	[17]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Trypanosoma Trypanothione reductase (Trypano TPR)	TTRTKPV	TYTR_TRYBB	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Arginase-1 (ARG1)	OTHZITAM	ARGI1_HUMAN	Gene/Protein Processing	[2]

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [2] Inhibition profile of Leishmania mexicana arginase reveals differences with human arginase I. Int J Parasitol. 2011 Apr;41(5):545-52. doi: 10.1016/j.ijpara.2010.12.006. Epub 2011 Jan 11.
• [3] Opportunities and challenges in antiparasitic drug discovery. Nat Rev Drug Discov. 2005 Sep;4(9):727-40.
• [4] 8-Methoxy-naphtho[2,3-b]thiophen-4,9-quinone, a non-competitive inhibitor of trypanothione reductase. Mem Inst Oswaldo Cruz. 2003 Jun;98(4):565-8.
• [5] The use of natural product scaffolds as leads in the search for trypanothione reductase inhibitors. Bioorg Med Chem. 2008 Jul 15;16(14):6689-95.
• [6] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
• [7] Irreversible inactivation of trypanothione reductase by unsaturated Mannich bases: a divinyl ketone as key intermediate. J Med Chem. 2005 Nov 17;48(23):7400-10.
• [8] Antitrypanosomal, antileishmanial, and antimalarial activities of quaternary arylalkylammonium 2-amino-4-chlorophenyl phenyl sulfides, a new class ... J Med Chem. 2005 Dec 15;48(25):8087-97.
• [9] Global gene expression analysis reveals differences in cellular responses to hydroxyl- and superoxide anion radical-induced oxidative stress in caco-2 cells. Toxicol Sci. 2010 Apr;114(2):193-203. doi: 10.1093/toxsci/kfp309. Epub 2009 Dec 31.
• [10] Global molecular effects of tocilizumab therapy in rheumatoid arthritis synovium. Arthritis Rheumatol. 2014 Jan;66(1):15-23.
• [11] Comparison of phenotypic and transcriptomic effects of false-positive genotoxins, true genotoxins and non-genotoxins using HepG2 cells. Mutagenesis. 2011 Sep;26(5):593-604.
• [12] Transcriptional and Metabolic Dissection of ATRA-Induced Granulocytic Differentiation in NB4 Acute Promyelocytic Leukemia Cells. Cells. 2020 Nov 5;9(11):2423. doi: 10.3390/cells9112423.
• [13] Keratinocyte-derived IL-36gama plays a role in hydroquinone-induced chemical leukoderma through inhibition of melanogenesis in human epidermal melanocytes. Arch Toxicol. 2019 Aug;93(8):2307-2320.
• [14] Effects of 1alpha,25 dihydroxyvitamin D3 and testosterone on miRNA and mRNA expression in LNCaP cells. Mol Cancer. 2011 May 18;10:58.
• [15] Comparison of HepG2 and HepaRG by whole-genome gene expression analysis for the purpose of chemical hazard identification. Toxicol Sci. 2010 May;115(1):66-79.
• [16] Integrative omics data analyses of repeated dose toxicity of valproic acid in vitro reveal new mechanisms of steatosis induction. Toxicology. 2018 Jan 15;393:160-170.
• [17] Oral vitamin D rapidly attenuates inflammation from sunburn: an interventional study. J Invest Dermatol. 2017 Oct;137(10):2078-2086.