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

General Information of Drug (ID: DMS9QA7)

• Drug Name: PMID27998201-Compound-22 Drug Info

Indication

Disease Entry	ICD 11	Status	REF
Alzheimer disease	8A20	Patented	[1]
Neurodegenerative disorder	8A20-8A23	Patented	[1]
Osteoarthritis	FA00-FA05	Patented	[1]
Pancreatitis	DC31-DC34	Patented	[1]

• Cross-matching ID:
  PubChem CID: 19910
  ChEBI ID: CHEBI:67121
  CAS Number: CAS 4008-48-4
  TTD Drug ID: DMS9QA7

Molecule-Related Drug Atlas

Drug(s) Targeting Cathepsin B (CTSB)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
PMID27998201-Compound-12	DM8QZNC	Bone cancer	2B5Z	Patented	[1]
PMID27998201-Compound-5	DMVZ0ND	Chronic obstructive pulmonary disease	CA22	Patented	[1]
PMID27998201-Compound-9	DM1JOZN	Rheumatoid arthritis	FA20	Patented	[1]
PMID27998201-Compound-17	DMAZVHJ	Hair loss	ED70	Patented	[1]
PMID27998201-Compound-11	DMTV5NU	Metastatic cancer	2D50-2E2Z	Patented	[1]
PMID27998201-Compound-2	DMMAE3C	Alzheimer disease	8A20	Patented	[1]
PMID27998201-Compound-13	DMZHIM8	Hepatic fibrosis	DB93.0	Patented	[1]
Dimethoxybenzylidene-2-thio-imidazole-4-one derivative 1	DMZ4B3W	Cerebral ischemia	8B11	Patented	[1]
PMID27998201-Compound-24	DM25BNZ	Glioma	2A00.0	Patented	[1]
L-006235-1	DMMEH12	Osteoarthritis	FA00-FA05	Preclinical	[4]

Drug(s) Affected By Methionine aminopeptidase 2 (METAP2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Selenium	DM25CGV	N. A.	N. A.	Approved	[5]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[6]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[7]
Ivermectin	DMDBX5F	Intestinal strongyloidiasis due to nematode parasite	1F6B	Approved	[8]
Temozolomide	DMKECZD	Adenocarcinoma	2D40	Approved	[9]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[10]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[11]
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[12]
Tocopherol	DMBIJZ6	N. A.	N. A.	Phase 2	[5]
COUMARIN	DM0N8ZM	Discovery agent	N.A.	Investigative	[13]

Drug(s) Affected By NAD-dependent protein deacetylase sirtuin-1 (SIRT1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[14]
Selenium	DM25CGV	N. A.	N. A.	Approved	[5]
Sulindac	DM2QHZU	Acute myelogenous leukaemia	2A41	Approved	[15]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[16]
Isoniazid	DM5JVS3	Latent tuberculosis infection		Approved	[17]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[18]
Prasterone	DM67VKL	Chronic obstructive pulmonary disease	CA22	Approved	[19]
Hydroquinone	DM6AVR4	Melasma	ED60.1	Approved	[20]
Testosterone	DM7HUNW	Hot flushes	GA30	Approved	[21]
Olaparib	DM8QB1D	Ovarian cancer	2C73	Approved	[22]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cathepsin B (CTSB)	TTF2LRI	CATB_HUMAN	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Methionine aminopeptidase 2 (METAP2)	OTNDI7YK	MAP2_HUMAN	Gene/Protein Processing	[2]
NAD-dependent protein deacetylase sirtuin-1 (SIRT1)	OTAYZMOY	SIR1_HUMAN	Gene/Protein Processing	[3]

References

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• [2] Effect of nitroxoline on angiogenesis and growth of human bladder cancer. J Natl Cancer Inst. 2010 Dec 15;102(24):1855-73. doi: 10.1093/jnci/djq457. Epub 2010 Nov 18.
• [3] Repurposing of Nitroxoline Drug for the Prevention of Neurodegeneration. Chem Res Toxicol. 2019 Nov 18;32(11):2182-2191. doi: 10.1021/acs.chemrestox.9b00183. Epub 2019 Oct 22.
• [4] Lysosomotropism of basic cathepsin K inhibitors contributes to increased cellular potencies against off-target cathepsins and reduced functional se... J Med Chem. 2005 Dec 1;48(24):7535-43.
• [5] Selenium and vitamin E: cell type- and intervention-specific tissue effects in prostate cancer. J Natl Cancer Inst. 2009 Mar 4;101(5):306-20.
• [6] 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.
• [7] Human embryonic stem cell-derived test systems for developmental neurotoxicity: a transcriptomics approach. Arch Toxicol. 2013 Jan;87(1):123-43.
• [8] Quantitative proteomics reveals a broad-spectrum antiviral property of ivermectin, benefiting for COVID-19 treatment. J Cell Physiol. 2021 Apr;236(4):2959-2975. doi: 10.1002/jcp.30055. Epub 2020 Sep 22.
• [9] Temozolomide induces activation of Wnt/-catenin signaling in glioma cells via PI3K/Akt pathway: implications in glioma therapy. Cell Biol Toxicol. 2020 Jun;36(3):273-278. doi: 10.1007/s10565-019-09502-7. Epub 2019 Nov 22.
• [10] Gene expression analysis of precision-cut human liver slices indicates stable expression of ADME-Tox related genes. Toxicol Appl Pharmacol. 2011 May 15;253(1):57-69.
• [11] Coordinate up-regulation of TMEM97 and cholesterol biosynthesis genes in normal ovarian surface epithelial cells treated with progesterone: implications for pathogenesis of ovarian cancer. BMC Cancer. 2007 Dec 11;7:223.
• [12] Gamma-irradiation and doxorubicin treatment of normal human cells cause cell cycle arrest via different pathways. Mol Cells. 2005 Dec 31;20(3):331-8.
• [13] Quantitative phosphoproteomics reveal cellular responses from caffeine, coumarin and quercetin in treated HepG2 cells. Toxicol Appl Pharmacol. 2022 Aug 15;449:116110. doi: 10.1016/j.taap.2022.116110. Epub 2022 Jun 7.
• [14] SIRT3 Mediates the Antioxidant Effect of Hydrogen Sulfide in Endothelial Cells. Antioxid Redox Signal. 2016 Feb 20;24(6):329-43. doi: 10.1089/ars.2015.6331. Epub 2015 Nov 10.
• [15] Expression profile analysis of colon cancer cells in response to sulindac or aspirin. Biochem Biophys Res Commun. 2002 Mar 29;292(2):498-512.
• [16] The p53/miR-34a/SIRT1 Positive Feedback Loop in Quercetin-Induced Apoptosis. Cell Physiol Biochem. 2015;35(6):2192-202. doi: 10.1159/000374024. Epub 2015 Apr 7.
• [17] AMPK activator acadesine fails to alleviate isoniazid-caused mitochondrial instability in HepG2 cells. J Appl Toxicol. 2017 Oct;37(10):1219-1224. doi: 10.1002/jat.3483. Epub 2017 May 29.
• [18] Arsenic trioxide induces apoptosis in NB-4, an acute promyelocytic leukemia cell line, through up-regulation of p73 via suppression of nuclear factor kappa B-mediated inhibition of p73 transcription and prevention of NF-kappaB-mediated induction of XIAP, cIAP2, BCL-XL and survivin. Med Oncol. 2010 Sep;27(3):833-42. doi: 10.1007/s12032-009-9294-9. Epub 2009 Sep 10.
• [19] Dual targeting of the antagonistic pathways mediated by Sirt1 and TXNIP as a putative approach to enhance the efficacy of anti-aging interventions. Aging (Albany NY). 2009 Mar 31;1(4):412-24. doi: 10.18632/aging.100035.
• [20] Hydroquinone-induced malignant transformation of TK6 cells by facilitating SIRT1-mediated p53 degradation and up-regulating KRAS. Toxicol Lett. 2016 Sep 30;259:133-142. doi: 10.1016/j.toxlet.2016.08.006. Epub 2016 Aug 8.
• [21] The exosome-like vesicles derived from androgen exposed-prostate stromal cells promote epithelial cells proliferation and epithelial-mesenchymal transition. Toxicol Appl Pharmacol. 2021 Jan 15;411:115384. doi: 10.1016/j.taap.2020.115384. Epub 2020 Dec 25.
• [22] Iron overload inhibits cell proliferation and promotes autophagy via PARP1/SIRT1 signaling in endometriosis and adenomyosis. Toxicology. 2022 Jan 15;465:153050. doi: 10.1016/j.tox.2021.153050. Epub 2021 Nov 23.