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

General Information of Drug (ID: DME74SP)

• Drug Name: Prostaglandin G2 Drug Info
• Synonyms: prostaglandin G2; PGG2; 51982-36-6; 9S,11R-epidioxy-15S-hydroperoxy-5Z,13E-prostadienoic acid; (5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroperoxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid; Endoperoxide G2; (5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroperoxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl}hept-5-enoate; GTPL5245; SCHEMBL16782384; CHEBI:27647; SGUKUZOVHSFKPH-YNNPMVKQSA-N; ZINC8220097; MFCD00036971; LMFA03010009; 2013AH; DB03866; C05956; Prostaglandin G2, >=95% (HPLC), acetone solution

Indication

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

• Cross-matching ID:
  PubChem CID: 5280883
  ChEBI ID: CHEBI:27647
  CAS Number: CAS 51982-36-6
  TTD Drug ID: DME74SP

Molecule-Related Drug Atlas

Drug(s) Targeting Prostaglandin G/H synthase 2 (COX-2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Ibuprofen	DM8VCBE	Dysmenorrhea	GA34.3	Approved	[4]
Naproxen	DMZ5RGV	Bursitis		Approved	[5]
Etodolac	DM6WJO9	Osteoarthritis	FA00-FA05	Approved	[6]
Indomethacin	DMSC4A7	Bursitis		Approved	[7]
Celecoxib	DM6LOQU	Dysmenorrhea	GA34.3	Approved	[8]
Nabumetone	DMAT2XH	Osteoarthritis	FA00-FA05	Approved	[9]
Rofecoxib	DM3P5DA	Osteoarthritis	FA00-FA05	Approved	[10]
Flurbiprofen	DMGN4BY	Osteoarthritis	FA00-FA05	Approved	[11]
Eicosapentaenoic acid/docosa-hexaenoic acid	DMMUCG4	Hypertriglyceridemia	5C80.1	Approved	[12]
Aminosalicylic Acid	DMENSL5	Crohn disease	DD70	Approved	[7]

Drug(s) Affected By Aldo-keto reductase family 1 member C1 (AKR1C1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[13]
Meclofenamic acid	DM05FXR	Ankylosing spondylitis	FA92.0	Approved	[14]
Diazepam	DM08E9O	Alcohol withdrawal		Approved	[15]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[16]
Salicyclic acid	DM2F8XZ	Acne vulgaris	ED80	Approved	[14]
Sulindac	DM2QHZU	Acute myelogenous leukaemia	2A41	Approved	[14]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[17]
Glimepiride	DM5FSJA	Diabetic complication	5A2Y	Approved	[18]
Ethacrynic acid	DM60QMR	Edema	MG29	Approved	[16]
Aspirin	DM672AH	Acute coronary syndrome	BA41	Approved	[14]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Prostaglandin G/H synthase 2 (COX-2)	TTVKILB	PGH2_HUMAN	Inhibitor	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Aldo-keto reductase family 1 member C1 (AKR1C1)	OTQKR4CM	AK1C1_HUMAN	Regulation of Drug Effects	[3]

References

• [1] 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. (Ligand id: 5245).
• [2] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
• [3] Relationship of human liver dihydrodiol dehydrogenases to hepatic bile-acid-binding protein and an oxidoreductase of human colon cells. Biochem J. 1996 Jan 15;313 ( Pt 2)(Pt 2):373-6.
• [4] Maternal toxicity of nonsteroidal anti-inflammatory drugs as an important factor affecting prenatal development. Reprod Toxicol. 2009 Sep;28(2):239-44.
• [5] Comparative inhibitory activity of rofecoxib, meloxicam, diclofenac, ibuprofen, and naproxen on COX-2 versus COX-1 in healthy volunteers. J Clin Pharmacol. 2000 Oct;40(10):1109-20.
• [6] Membranous nephropathy associated with the relatively selective cyclooxygenase-2 inhibitor, etodolac, in a patient with early rheumatoid arthritis. Intern Med. 2007;46(13):1055-8.
• [7] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [8] Pfizer. Product Development Pipeline. March 31 2009.
• [9] Renal effects of nabumetone, a COX-2 antagonist: impairment of function in isolated perfused rat kidneys contrasts with preserved renal function in vivo. Exp Nephrol. 2001;9(6):387-96.
• [10] Privileged structures: a useful concept for the rational design of new lead drug candidates. Mini Rev Med Chem. 2007 Nov;7(11):1108-19.
• [11] Flurbiprofen, a cyclooxygenase inhibitor, protects mice from hepatic ischemia/reperfusion injury by inhibiting GSK-3 signaling and mitochondrial permeability transition.Mol Med.2012 Sep 25;18:1128-35.
• [12] Cox-2 inhibitory effects of naturally occurring and modified fatty acids. J Nat Prod. 2001 Jun;64(6):745-9.
• [13] Progestin effects on expression of AKR1C1-AKR1C3, SRD5A1 and PGR in the Z-12 endometriotic epithelial cell line. Chem Biol Interact. 2013 Feb 25;202(1-3):218-25.
• [14] Type 5 17beta-hydroxysteroid dehydrogenase/prostaglandin F synthase (AKR1C3): role in breast cancer and inhibition by non-steroidal anti-inflammatory drug analogs. Chem Biol Interact. 2009 Mar 16;178(1-3):221-7.
• [15] Substrate specificity of human 3(20)alpha-hydroxysteroid dehydrogenase for neurosteroids and its inhibition by benzodiazepines. Biol Pharm Bull. 2002 Apr;25(4):441-5.
• [16] Isoform-specific induction of a human aldo-keto reductase by polycyclic aromatic hydrocarbons (PAHs), electrophiles, and oxidative stress: implications for the alternative pathway of PAH activation catalyzed by human dihydrodiol dehydrogenase. Cancer Res. 1999 Feb 1;59(3):607-14.
• [17] Simvastatin inactivates beta1-integrin and extracellular signal-related kinase signaling and inhibits cell proliferation in head and neck squamous cell carcinoma cells. Cancer Sci. 2007 Jun;98(6):890-9.
• [18] Initro inhibition of AKR1Cs by sulphonylureas and the structural basis. Chem Biol Interact. 2015 Oct 5;240:310-5.