Details of the Drug Therapeutic Target (DTT)

General Information of Drug Therapeutic Target (DTT) (ID: TTFBNVI)

• DTT Name: Aldose reductase (AKR1B1)
• Synonyms: Aldehyde reductase; AKR1B1
• Gene Name: AKR1B1
• DTT Type: Successful target; [1]
• Related Disease:
  Neuropathy [ICD-11: 8C0Z]
  Rheumatoid arthritis [ICD-11: FA20]
• BioChemical Class: Short-chain dehydrogenases reductase
• UniProt ID: ALDR_HUMAN
• TTD ID: T26623
• EC Number: EC 1.1.1.300
• Sequence:
  MASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQNENEVGVAIQ
  EKLREQVVKREELFIVSKLWCTYHEKGLVKGACQKTLSDLKLDYLDLYLIHWPTGFKPGK
  EFFPLDESGNVVPSDTNILDTWAAMEELVDEGLVKAIGISNFNHLQVEMILNKPGLKYKP
  AVNQIECHPYLTQEKLIQYCQSKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKAIAAK
  HNKTTAQVLIRFPMQRNLVVIPKSVTPERIAENFKVFDFELSSQDMTTLLSYNRNWRVCA
  LLSCTSHKDYPFHEEF
• Function: Catalyzes the NADPH-dependent reduction of a wide variety of carbonyl-containing compounds to their corresponding alcohols with a broad range of catalytic efficiencies.
• KEGG Pathway:
  Pentose and glucuronate interconversions (hsa00040)
  Fructose and mannose metabolism (hsa00051)
  Galactose metabolism (hsa00052)
  Glycerolipid metabolism (hsa00561)
  Metabolic pathways (hsa01100)
• Reactome Pathway:
  Fructose biosynthesis (R-HSA-5652227)
  Pregnenolone biosynthesis (R-HSA-196108)
• BioCyc Pathway: MetaCyc:HS01502-MON

Molecular Interaction Atlas (MIA) of This DTT

2 Approved Drug(s) Targeting This DTT

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Epalrestat	DM5OGK0	Diabetic neuropathy	8C0Z	Approved	[2], [3]
Sulindac	DM2QHZU	Rheumatoid arthritis	FA20	Approved	[1], [4]

11 Clinical Trial Drug(s) Targeting This DTT

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Fidarestat	DMZL1I8	Diabetic complication	5A2Y	Phase 3	[5], [6]
Ranirestat	DMD5QRS	Diabetic neuropathy	8C0Z	Phase 3	[7]
BNV-222	DMYFQJL	Diabetic neuropathy	8C0Z	Phase 2/3	[8]
Contigoside B	DMX9V8K	Thrombosis	DB61-GB90	Phase 2/3	[9]
ADMVA	DM819CO	Diabetic complication	5A2Y	Phase 2	[7]
LIDORESTAT	DMA0RI9	Diabetic complication	5A2Y	Phase 2	[10]
M-16209	DMZ7YX3	Diabetic complication	5A2Y	Phase 2	[11], [12]
QR-333	DMKVIWM	Diabetic neuropathy	8C0Z	Phase 2	[13]
T2c-003	DMWIH59	Diabetic neuropathy	8C0Z	Phase 1/2	[7]
ALO-1567	DMGFVYL	Glaucoma/ocular hypertension	9C61	Phase 1	[14], [12]
SSR-125047	DMSUFW6	Schizophrenia	6A20	Phase 1	[15]

14 Discontinued Drug(s) Targeting This DTT

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
IMIRESTAT	DM8KSMX	Diabetic complication	5A2Y	Discontinued in Phase 3	[16]
MINALRESTAT	DM86XJG	Diabetic complication	5A2Y	Discontinued in Phase 3	[17]
Ponalrestat	DM04ZUW	Gout	FA25	Discontinued in Phase 3	[18]
AD-5467	DMM02XV	Diabetic complication	5A2Y	Discontinued in Phase 2	[19], [12]
Alrestatin	DMIAXCZ	N. A.	N. A.	Discontinued in Phase 2	[20]
CTL-102-GDEPT	DM09CUO	Head and neck cancer	2D42	Discontinued in Phase 2	[21]
JTT-811	DMJ1ZTB	Diabetic complication	5A2Y	Discontinued in Phase 2	[7]
ZOPOLRESTAT	DMWOT92	Diabetic complication	5A2Y	Discontinued in Phase 2	[22]
E-0722	DM2PVMZ	Diabetic cataract	9B10.21	Terminated	[24]
FR-62765	DMJS9YB	Diabetic complication	5A2Y	Terminated	[25]
Sorbinil	DM31VE4	Diabetic cataract	9B10.21	Terminated	[26], [27]
SPR-210	DMTGIUV	Diabetic complication	5A2Y	Terminated	[28]
WF-2421	DMBMOI6	Diabetic complication	5A2Y	Terminated	[29]
Zenarestat	DMQUSG9	Diabetic neuropathy	8C0Z	Terminated	[30]

1 Preclinical Drug(s) Targeting This DTT

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
ARI-809	DM61TDB	Diabetic complication	5A2Y	Preclinical	[23]

74 Investigative Drug(s) Targeting This DTT

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
(4-Methyl-2-oxo-2H-quinolin-1-yl)-acetic acid	DMPU7KE	Discovery agent	N.A.	Investigative	[31]
(6-Hydroxy-2-oxo-2H-quinolin-1-yl)-acetic acid	DMQJ5RU	Discovery agent	N.A.	Investigative	[31]
(6-Methoxy-2-oxo-2H-quinolin-1-yl)-acetic acid	DMTYXFU	Discovery agent	N.A.	Investigative	[31]
(8-Hydroxy-2-oxo-2H-quinolin-1-yl)-acetic acid	DMRU0IB	Discovery agent	N.A.	Investigative	[31]
2'-Monophosphoadenosine 5'-Diphosphoribose	DME9S8M	Discovery agent	N.A.	Investigative	[20]
2,3-dihydroxypropanal	DMOWNB4	Discovery agent	N.A.	Investigative	[32]
2-(3,4-Dihydroxy-benzyl)-7-hydroxy-chromen-4-one	DMAOD0K	Discovery agent	N.A.	Investigative	[33]
2-(3,4-Dihydroxy-phenyl)-7-hydroxy-chromen-4-one	DM5MKEI	Discovery agent	N.A.	Investigative	[33]
2-(3-benzoyl-1H-pyrrol-1-yl)acetic acid	DMDB4LZ	Discovery agent	N.A.	Investigative	[34]
2-(4-aminophenylsulfonamido)acetic acid	DMMU2BZ	Discovery agent	N.A.	Investigative	[35]
2-(Phenylsulfonamido)acetic Acid	DMMSI67	Discovery agent	N.A.	Investigative	[36]
2-Benzhydryl-7-hydroxy-chromen-4-one	DMXZ1HL	Discovery agent	N.A.	Investigative	[33]
2-Benzyl-7-hydroxy-chromen-4-one	DMAX5TC	Discovery agent	N.A.	Investigative	[33]
3,5-dichlorosalicylic acid	DMQ45WH	Discovery agent	N.A.	Investigative	[37]
3-(3-Benzoyl-1H-pyrrol-1-yl)propanoic acid	DMXKL75	Discovery agent	N.A.	Investigative	[34]
3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid	DM1QKNU	Discovery agent	N.A.	Investigative	[38]
4-(3-Benzoyl-1H-pyrrol-1-yl)butanoic acid	DMT0EK8	Discovery agent	N.A.	Investigative	[34]
4-(3-Methoxy-phenyl)-isoxazolidine-3,5-dione	DMSUFJZ	Discovery agent	N.A.	Investigative	[39]
6,7-Dihydroxy-2-phenyl-chromen-4-one	DMF08UT	Discovery agent	N.A.	Investigative	[33]
6-(1H-Indole-2-sulfonyl)-2H-pyridazin-3-one	DM1TOFD	Discovery agent	N.A.	Investigative	[40]
6-(2-Bromo-benzenesulfonyl)-2H-pyridazin-3-one	DMYDHLN	Discovery agent	N.A.	Investigative	[40]
6-(2-Chloro-benzenesulfonyl)-2H-pyridazin-3-one	DM2Y9O4	Discovery agent	N.A.	Investigative	[40]
6-(2-Fluoro-benzenesulfonyl)-2H-pyridazin-3-one	DMQKR2W	Discovery agent	N.A.	Investigative	[40]
6-(3-Chloro-benzenesulfonyl)-2H-pyridazin-3-one	DMJO4I7	Discovery agent	N.A.	Investigative	[40]
6-(4-Bromo-benzenesulfonyl)-2H-pyridazin-3-one	DM9K8DY	Discovery agent	N.A.	Investigative	[40]
6-(4-Chloro-benzenesulfonyl)-2H-pyridazin-3-one	DMNAHVB	Discovery agent	N.A.	Investigative	[40]
6-(4-Fluoro-benzenesulfonyl)-2H-pyridazin-3-one	DM7WYNT	Discovery agent	N.A.	Investigative	[40]
6-(4-Methoxy-benzenesulfonyl)-2H-pyridazin-3-one	DM5LBCH	Discovery agent	N.A.	Investigative	[40]
6-(Benzofuran-2-sulfonyl)-2H-pyridazin-3-one	DM2GFI3	Discovery agent	N.A.	Investigative	[40]
6-(Benzothiazole-2-sulfonyl)-2H-pyridazin-3-one	DMXLDHR	Discovery agent	N.A.	Investigative	[40]
6-(Biphenyl-2-sulfonyl)-2H-pyridazin-3-one	DM4KMDB	Discovery agent	N.A.	Investigative	[40]
6-(Naphthalene-1-sulfonyl)-2H-pyridazin-3-one	DMXSCQE	Discovery agent	N.A.	Investigative	[40]
6-(Naphthalene-2-sulfonyl)-2H-pyridazin-3-one	DMCIA63	Discovery agent	N.A.	Investigative	[40]
6-(Toluene-4-sulfonyl)-2H-pyridazin-3-one	DMV3MF4	Discovery agent	N.A.	Investigative	[40]
6-Benzenesulfonyl-2H-pyridazin-3-one	DM81DTC	Discovery agent	N.A.	Investigative	[40]
6-Hydroxy-2-(4-hydroxy-benzyl)-chromen-4-one	DMU1CGD	Discovery agent	N.A.	Investigative	[33]
6-methoxykaempferol 3-O-beta-D-robinobioside	DM5JB9D	Discovery agent	N.A.	Investigative	[41]
6-Phenylmethanesulfonyl-2H-pyridazin-3-one	DMPA534	Discovery agent	N.A.	Investigative	[40]
7-Hydroxy-2-(4-hydroxy-benzyl)-chromen-4-one	DMCB2IM	Discovery agent	N.A.	Investigative	[33]
7-Hydroxy-2-(4-methoxy-benzyl)-chromen-4-one	DM2BV6P	Discovery agent	N.A.	Investigative	[33]
7-Hydroxy-4-phenylcoumarin	DM3T612	Discovery agent	N.A.	Investigative	[42]
7-Hydroxy-6-nitro-2-phenyl-chromen-4-one	DM49RWY	Discovery agent	N.A.	Investigative	[33]
AK198	DMWKPJH	Discovery agent	N.A.	Investigative	[43]
Alpha-D-Glucose-6-Phosphate	DMR0EVN	Discovery agent	N.A.	Investigative	[20]
Apigenin	DMI3491	Discovery agent	N.A.	Investigative	[44]
Apigenin-7-O-beta-D-glucuronide	DMIQOXH	Discovery agent	N.A.	Investigative	[44]
Apigenin-7-O-beta-D-glucuronide methyl ester	DMP7J0I	Discovery agent	N.A.	Investigative	[44]
ASTRAGALIN	DMZHWPG	Discovery agent	N.A.	Investigative	[44]
BNV-222	DMIOHMZ	Diabetic neuropathy	8C0Z	Investigative	[7]
Chrysin	DM7V2LG	Discovery agent	N.A.	Investigative	[45]
Daidzein	DMRFTJX	Discovery agent	N.A.	Investigative	[33]
EPALRESTATE	DM01MW7	Discovery agent	N.A.	Investigative	[44]
Fidarestat(Stereoisomer)	DMETVLB	Discovery agent	N.A.	Investigative	[20]
Hydroxydimethylarsine Oxide	DMPS2B1	Discovery agent	N.A.	Investigative	[20]
IDD552	DM3P7W5	Discovery agent	N.A.	Investigative	[20]
IDD594	DMDHLG3	Discovery agent	N.A.	Investigative	[38]
Inhibitor Idd 384	DMBQY3C	Discovery agent	N.A.	Investigative	[20]
Isorhamnetin 3,7-disulfate	DMFKQ0B	Discovery agent	N.A.	Investigative	[9]
Isorhamnetin 3-O-rhamnoside	DMZQUY4	Discovery agent	N.A.	Investigative	[46]
Kaempferol	DMHEMUB	Discovery agent	N.A.	Investigative	[44]
MANGIFERIN	DMWAF5Z	Discovery agent	N.A.	Investigative	[47]
N-Acetylalanine	DMZW9AC	Discovery agent	N.A.	Investigative	[20]
NSC-94258	DM6VY3P	Discovery agent	N.A.	Investigative	[33]
O5-Acetyl-O7-nitrooxyethyl chrysin	DMKMH2X	Discovery agent	N.A.	Investigative	[45]
O7-Nitrooxyethyl chrysin	DMAUDCW	Discovery agent	N.A.	Investigative	[45]
PALBINONE	DMN97BF	Discovery agent	N.A.	Investigative	[48]
Patuletin 3-O-beta-D-galactoside	DMOXNYQ	Discovery agent	N.A.	Investigative	[41]
Patuletin 3-O-beta-D-robinobioside	DMZ5Q7J	Discovery agent	N.A.	Investigative	[41]
Quercetin 3-O-neohesperidoside	DMXIU6W	Discovery agent	N.A.	Investigative	[46]
QUERCITRIN	DM1DH96	Discovery agent	N.A.	Investigative	[44]
Tamarixetin 3-glucoside-7-sulfate	DM17JFO	Discovery agent	N.A.	Investigative	[9]
TINGENIN B	DMEV7FY	Discovery agent	N.A.	Investigative	[47]
TINGENONE	DMH3NTP	Discovery agent	N.A.	Investigative	[47]
TRIPTOCALLINE A	DMBYV3M	Discovery agent	N.A.	Investigative	[47]

Molecular Expression Atlas (MEA) of This DTT

Disease Name	ICD 11	Studied Tissue	p-value	Fold-Change	Z-score
Rheumatoid arthritis	FA20	Synovial tissue	3.36E-03	1.16	2.04
Head and neck cancer	2C82	Head and neck tissue	1.08E-20	0.94	1.58

The Drug-Metabolizing Enzyme (DME) Role of This DTT

• DTT DME Name: Aldo-keto reductase 1B1 (AKR1B1) DME Info
• Gene Name: AKR1B1

2 Approved Drug(s) Metabolized by This DTT

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Allopregnanolone	DMNLHAC	Depression	6A70-6A7Z	Approved	[49]
Fenofibric acid	DMGO2MC	Cardiovascular disease	BA00-BE2Z	Approved	[50]

References

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• [2] Long-term effect of epalrestat, an aldose reductase inhibitor, on the development of incipient diabetic nephropathy in Type 2 diabetic patients. J Diabetes Complications. 2001 Sep-Oct;15(5):241-4.
• [3] Clinical investigation of epalrestat, an aldose reductase inhibitor, on diabetic neuropathy in Japan: multicenter study. Diabetic Neuropathy Study Group in Japan. J Diabetes Complications. 1996 May-Jun;10(3):168-72.
• [4] Diabetic complications in lens and nerve and their prevention by sulindac or sorbinil: two novel aldose reductase inhibitors. Invest Ophthalmol Vis Sci. 1983 Oct;24(10):1426-9.
• [5] Clinical efficacy of fidarestat, a novel aldose reductase inhibitor, for diabetic peripheral neuropathy: a 52-week multicenter placebo-controlled double-blind parallel group study. Diabetes Care. 2001 Oct;24(10):1776-82.
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• [7] 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. (Target id: 2768).
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• [17] Minalrestat, an aldose reductase inhibitor, corrects the impaired microvascular reactivity in diabetes. J Pharmacol Exp Ther. 2003 Mar;304(3):1236-42.
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• [25] Studies on WF-3681, a novel aldose reductase inhibitor. IV. Effect of FR-62765, a derivative of WF-3681, on the diabetic neuropathy in rats. J Antibiot (Tokyo). 1991 Apr;44(4):441-4.
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• [28] Pharmacological profiles of a novel aldose reductase inhibitor, SPR-210, and its effects on streptozotocin-induced diabetic rats. Jpn J Pharmacol. 1994 Feb;64(2):115-24.
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• [30] The effects of zenarestat, an aldose reductase inhibitor, on minimal F-wave latency and nerve blood flow in streptozotocin-induced diabetic rats. Life Sci. 2001 Feb 9;68(12):1439-48.
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• [32] Structural basis for the high all-trans-retinaldehyde reductase activity of the tumor marker AKR1B10. Proc Natl Acad Sci U S A. 2007 Dec 26;104(52):20764-9.
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• [39] Isoxazolidine-3,5-diones as lens aldose reductase inhibitors. J Med Chem. 1982 Jun;25(6):745-7.
• [40] A novel series of non-carboxylic acid, non-hydantoin inhibitors of aldose reductase with potent oral activity in diabetic rat models: 6-(5-chloro-3... J Med Chem. 2005 Oct 6;48(20):6326-39.
• [41] Flavonoids with anti-cataract activity from Brickellia arguta. J Nat Prod. 1984 Mar-Apr;47(2):316-9.
• [42] 6,7-Dihydroxy-4-phenylcoumarin as inhibitor of aldose reductase 2. Bioorg Med Chem Lett. 2010 Oct 1;20(19):5630-3.
• [43] The Effect of Halogen-to-Hydrogen Bond Substitution on Human Aldose Reductase Inhibition. ACS Chem Biol. 2015 Jul 17;10(7):1637-42.
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• [45] Synthesis, characterization and vasculoprotective effects of nitric oxide-donating derivatives of chrysin. Bioorg Med Chem. 2010 May 1;18(9):3020-5.
• [46] New flavonol oligoglycosides and polyacylated sucroses with inhibitory effects on aldose reductase and platelet aggregation from the flowers of Pru... J Nat Prod. 2002 Aug;65(8):1151-5.
• [47] Structures of new friedelane-type triterpenes and eudesmane-type sesquiterpene and aldose reductase inhibitors from Salacia chinensis. J Nat Prod. 2003 Sep;66(9):1191-6.
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