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

General Information of Drug (ID: DM4W5X8)

• Drug Name: Palmitoleic Acid Drug Info
• Synonyms: palmitoleic acid; (Z)-Hexadec-9-enoic acid; cis-9-Hexadecenoic acid; 373-49-9; 9-cis-Hexadecenoic acid; zoomaric acid; (Z)-9-hexadecenoic acid; cis-9-palmitoleic acid; palmitoleate; (9Z)-Hexadecenoic acid; Palmitolinoleic acid; cis-Palmitoleic acid; 9Z-hexadecenoic acid; (9Z)-hexadec-9-enoic acid; Hexadecenoate; Oleopalmitate; Zoomerate; Zoomeric acid; cis-Palmitoleate; 9-Hexadecenoate; Oleopalmitic acid; UNII-209B6YPZ4I; 9-cis-hexadecenoate; 9Z-palmitoleic acid; cis-Delta(9)-hexadecenoic acid; (Z)-Palmitoleic acid

Indication

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

• Cross-matching ID:
  PubChem CID: 445638
  ChEBI ID: CHEBI:28716
  CAS Number: CAS 373-49-9
  TTD Drug ID: DM4W5X8

Molecule-Related Drug Atlas

Drug(s) Targeting Pseudomonas UDP-3-O-acyl-GlcNAc deacetylase (Pseudo lpxC)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
LpxC-1	DMV1A25	Acinetobacter baumannii infection	CA40.0Y	Preclinical	[5]
RC-01	DM4FNWO	Gram-negative bacterial infection	1B74-1G40	Terminated	[6]
MYRISTIC ACID	DMYX0BL	Discovery agent	N.A.	Investigative	[7]
Cacodylate Ion	DMK4XLD	Discovery agent	N.A.	Investigative	[2]
3-(heptyloxy)benzoic acid	DMQZU9G	Discovery agent	N.A.	Investigative	[7]
BB-78484	DMFBN9O	Discovery agent	N.A.	Investigative	[8]
BB-78485	DMJKA3F	Discovery agent	N.A.	Investigative	[8]
Tu-514	DMUR0TF	Discovery agent	N.A.	Investigative	[2]

Drug(s) Affected By Serum paraoxonase/arylesterase 1 (PON1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Primidone	DM0WX6I	Epilepsy	8A60-8A68	Approved	[9]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[10]
Methimazole	DM25FL8	Hyperthyroidism	5A02	Approved	[11]
Ciprofloxacin XR	DM2NLS9	Acute gonococcal cervicitis		Approved	[12]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[13]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[14]
Panobinostat	DM58WKG	Chronic graft versus host disease		Approved	[15]
Rifampicin	DM5DSFZ	Non-insulin dependent diabetes	5A11	Approved	[16]
Aspirin	DM672AH	Acute coronary syndrome	BA41	Approved	[17]
Gabapentin	DM6T924	Complex partial seizure	8A68.0	Approved	[9]

Drug(s) Affected By Phospholipid-transporting ATPase ABCA1 (ABCA1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[18]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[19]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[20]
Fluoxetine	DM3PD2C	Bipolar depression		Approved	[21]
obeticholic acid	DM3Q1SM	Primary biliary cholangitis	DB96.1	Approved	[22]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[23]
Omeprazole	DM471KJ	Cystic fibrosis	CA25	Approved	[24]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[25]
Rifampicin	DM5DSFZ	Non-insulin dependent diabetes	5A11	Approved	[26]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[27]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Pseudomonas UDP-3-O-acyl-GlcNAc deacetylase (Pseudo lpxC)	TT0OFWN	LPXC_PSEAE	Inhibitor	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Phospholipid-transporting ATPase ABCA1 (ABCA1)	OT94G6BQ	ABCA1_HUMAN	Protein Interaction/Cellular Processes	[3]
Serum paraoxonase/arylesterase 1 (PON1)	OTD0Z2XO	PON1_HUMAN	Gene/Protein Processing	[4]

References

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• [2] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [3] Unsaturated fatty acids phosphorylate and destabilize ABCA1 through a phospholipase D2 pathway. J Biol Chem. 2005 Oct 28;280(43):35896-903. doi: 10.1074/jbc.M506210200. Epub 2005 Aug 23.
• [4] Preferential inhibition of paraoxonase activity of human paraoxonase 1 by negatively charged lipids. J Lipid Res. 2004 Dec;45(12):2211-20.
• [5] Different drugs for bad bugs: antivirulence strategies in the age of antibiotic resistance. Nat Rev Drug Discov. 2017 Jul;16(7):457-471.
• [6] The global preclinical antibacterial pipeline. Nat Rev Microbiol. 2020 May;18(5):275-285.
• [7] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
• [8] Antibacterial activities and characterization of novel inhibitors of LpxC. Antimicrob Agents Chemother. 2002 Jun;46(6):1793-9.
• [9] Antiepileptic drugs: impacts on human serum paraoxonase-1. J Biochem Mol Toxicol. 2017 Jun;31(6).
• [10] Beneficial effect of oleoylated lipids on paraoxonase 1: protection against oxidative inactivation and stabilization. Biochem J. 2003 Oct 15;375(Pt 2):275-85.
• [11] Serum paraoxonase activity before and after treatment of thyrotoxicosis. Clin Endocrinol (Oxf). 2004 Jan;60(1):75-80.
• [12] Effects of some antibiotics on paraoxonase from human serum in vitro and from mouse serum and liver in vivo. Biol Pharm Bull. 2006 Aug;29(8):1559-63.
• [13] Simvastatin modulates expression of the PON1 gene and increases serum paraoxonase: a role for sterol regulatory element-binding protein-2. Arterioscler Thromb Vasc Biol. 2003 Nov 1;23(11):2083-9. doi: 10.1161/01.ATV.0000096207.01487.36. Epub 2003 Sep 18.
• [14] Dietary polyphenols increase paraoxonase 1 gene expression by an aryl hydrocarbon receptor-dependent mechanism. Mol Cell Biol. 2004 Jun;24(12):5209-22.
• [15] A transcriptome-based classifier to identify developmental toxicants by stem cell testing: design, validation and optimization for histone deacetylase inhibitors. Arch Toxicol. 2015 Sep;89(9):1599-618.
• [16] Transcriptional regulation of human paraoxonase 1 by PXR and GR in human hepatoma cells. Toxicol In Vitro. 2015 Dec 25;30(1 Pt B):348-54.
• [17] Induction of paraoxonase 1 and apolipoprotein A-I gene expression by aspirin. J Lipid Res. 2008 Oct;49(10):2142-8.
• [18] Atheroprotective effects of methotrexate on reverse cholesterol transport proteins and foam cell transformation in human THP-1 monocyte/macrophages. Arthritis Rheum. 2008 Dec;58(12):3675-83.
• [19] Combining simvastatin with the farnesyltransferase inhibitor tipifarnib results in an enhanced cytotoxic effect in a subset of primary CD34+ acute myeloid leukemia samples. Clin Cancer Res. 2009 May 1;15(9):3076-83. doi: 10.1158/1078-0432.CCR-08-3004. Epub 2009 Apr 21.
• [20] 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.
• [21] Screening autism-associated environmental factors in differentiating human neural progenitors with fractional factorial design-based transcriptomics. Sci Rep. 2023 Jun 29;13(1):10519. doi: 10.1038/s41598-023-37488-0.
• [22] Pharmacotoxicology of clinically-relevant concentrations of obeticholic acid in an organotypic human hepatocyte system. Toxicol In Vitro. 2017 Mar;39:93-103.
• [23] Differential effects of peroxisome proliferator-activated receptor activators on the mRNA levels of genes involved in lipid metabolism in primary human monocyte-derived macrophages. Metabolism. 2003 May;52(5):652-7. doi: 10.1053/meta.2003.50100.
• [24] Proton pump inhibitor lansoprazole is a nuclear liver X receptor agonist. Biochem Pharmacol. 2010 May 1;79(9):1310-6. doi: 10.1016/j.bcp.2009.12.018. Epub 2010 Jan 8.
• [25] Repression of hepatocyte nuclear factor 4 alpha by AP-1 underlies dyslipidemia associated with retinoic acid. J Lipid Res. 2019 Apr;60(4):794-804. doi: 10.1194/jlr.M088880. Epub 2019 Feb 1.
• [26] Pregnane X receptor-agonists down-regulate hepatic ATP-binding cassette transporter A1 and scavenger receptor class B type I. Biochem Biophys Res Commun. 2005 Jun 17;331(4):1533-41. doi: 10.1016/j.bbrc.2005.04.071.
• [27] Inhibition of liver x receptor/retinoid X receptor-mediated transcription contributes to the proatherogenic effects of arsenic in macrophages in vitro. Arterioscler Thromb Vasc Biol. 2010 Jun;30(6):1228-36. doi: 10.1161/ATVBAHA.110.205500. Epub 2010 Mar 25.