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

General Information of Drug (ID: DML4IAX)

• Drug Name: HY-N2258 Drug Info
• Synonyms: Citrifolioside; Poncirin; Poncirin, analytical standard; SCHEMBL123069; SureCN123069; ZINC8234320; (2S)-poncirin; 14941-08-3; 8MUY4P95B4; AKOS037514792; CHEBI:66773; CHEMBL451050; CP0093; DTXSID00933642; EINECS 239-020-1; HY-N2258; Isosakuranetin 7-O-neohesperidoside; NLAWPKPYBMEWIR-SKYQDXIQSA-N; Isosakuranetin-7-O-beta-D-neohesperidoside; Isosakuranetin-7-O-neohesperidoside; NCGC00163611-01; UNII-8MUY4P95B4; s9165
• Cross-matching ID:
  PubChem CID: 442456
  ChEBI ID: CHEBI:66773
  CAS Number: CAS 14941-08-3
  TTD Drug ID: DML4IAX
  INTEDE Drug ID: DR2498

Molecule-Related Drug Atlas

Drug(s) Metabolized By Alpha-L-rhamnosidase (lrA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Rutin	DMEHRAJ	Discovery agent	N.A.	Investigative	[1]
Ginsenoside Re	DM46FVD	N. A.	N. A.	Investigative	[1]
naringin	DM4DG1Y	Discovery agent	N.A.	Investigative	[1]
PNA-l-rhamnopyranoside	DMZF7RQ	N. A.	N. A.	Investigative	[1]

Drug(s) Affected By Beta-secretase 1 (BACE1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[3]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[4]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[2]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[5]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[6]
Marinol	DM70IK5	Anorexia nervosa cachexia	6B80	Approved	[7]
Ibuprofen	DM8VCBE	Dysmenorrhea	GA34.3	Approved	[8]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[9]
Sevoflurane	DMC9O43	Anaesthesia	9A78.6	Approved	[10]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[11]

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Alpha-L-rhamnosidase (lrA) Main DME	DEBI82Z	A0A1V8Q7P3_9BIF	Substrate	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Beta-secretase 1 (BACE1)	OTCA7B6A	BACE1_HUMAN	Gene/Protein Processing	[2]

References

• [1] Metabolism of rutin and poncirin by human intestinal microbiota and cloning of their metabolizing alpha-L-rhamnosidase from Bifidobacterium dentium. J Microbiol Biotechnol. 2015 Jan;25(1):18-25.
• [2] Flavanone glycosides inhibit -site amyloid precursor protein cleaving enzyme 1 and cholinesterase and reduce A aggregation in the amyloidogenic pathway. Chem Biol Interact. 2019 Aug 25;309:108707. doi: 10.1016/j.cbi.2019.06.020. Epub 2019 Jun 11.
• [3] Cannabidiol Modulates the Expression of Alzheimer's Disease-Related Genes in Mesenchymal Stem Cells. Int J Mol Sci. 2016 Dec 23;18(1):26. doi: 10.3390/ijms18010026.
• [4] Neuroprotective effects of glucomoringin-isothiocyanate against H(2)O(2)-Induced cytotoxicity in neuroblastoma (SH-SY5Y) cells. Neurotoxicology. 2019 Dec;75:89-104. doi: 10.1016/j.neuro.2019.09.008. Epub 2019 Sep 12.
• [5] 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.
• [6] Chronic occupational exposure to arsenic induces carcinogenic gene signaling networks and neoplastic transformation in human lung epithelial cells. Toxicol Appl Pharmacol. 2012 Jun 1;261(2):204-16.
• [7] THC exposure of human iPSC neurons impacts genes associated with neuropsychiatric disorders. Transl Psychiatry. 2018 Apr 25;8(1):89. doi: 10.1038/s41398-018-0137-3.
• [8] Nonsteroidal anti-inflammatory drugs and peroxisome proliferator-activated receptor-gamma agonists modulate immunostimulated processing of amyloid precursor protein through regulation of beta-secretase. J Neurosci. 2003 Oct 29;23(30):9796-804. doi: 10.1523/JNEUROSCI.23-30-09796.2003.
• [9] 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.
• [10] The common inhalational anesthetic sevoflurane induces apoptosis and increases beta-amyloid protein levels. Arch Neurol. 2009 May;66(5):620-31. doi: 10.1001/archneurol.2009.48.
• [11] Human embryonic stem cell-derived test systems for developmental neurotoxicity: a transcriptomics approach. Arch Toxicol. 2013 Jan;87(1):123-43.