Details of the Drug

General Information of Drug (ID: DMH0ROP)

• Drug Name: Maltose
• Synonyms: beta-maltose; Maltobiose; Maltose, pure; Advanctose 100; 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranose; Cextromaltose; Maltodiose; Finetose; Sunmalt; Malt sugar; Finetose F; Sunmalt S; UNII-R4B6462NGR; D-Glucose, 4-O-alpha-D-glucopyranosyl-; AI3-09089; EINECS 200-716-5; BRN 0093798; 4-O-alpha-D-Glucopyranosyl-D-glucose; R4B6462NGR; 4-(alpha-D-Glucosido)-D-glucose; CHEBI:18147; beta-D-Cellobiose; GUBGYTABKSRVRQ-QUYVBRFLSA-N; beta-D-glucopyranose, 4-O-alpha-D-glucopyranosyl-
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight (mw); 342.3
  Logarithm of the Partition Coefficient (xlogp); -4.7
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 8
  Hydrogen Bond Acceptor Count (hbondacc); 11
• Chemical Identifiers:
  Formula: C12H22O11
  IUPAC Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
  Canonical SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O
  InChI: InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1
  InChIKey: GUBGYTABKSRVRQ-QUYVBRFLSA-N
• Cross-matching ID:
  PubChem CID: 6255
  ChEBI ID: CHEBI:18147
  CAS Number: 133-99-3
  DrugBank ID: DB03323
  TTD ID: D04RYY
  INTEDE ID: DR2110

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Alpha-glucosidase (GLA)	TTHCF4J	LYAG_HUMAN ; GANAB_HUMAN ; GANC_HUMAN	Inhibitor	[1]
Intestinal maltase-glucoamylase (MGAM)	TTXWASR	MGA_HUMAN	Inhibitor	[1]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Sucrase-isomaltase intestinal (SI)	DE5EO4Y	SUIS_HUMAN	Substrate	[2]
Maltose phosphorylase (malP)	DE7NXHG	Q5FI04_LACAC	Substrate	[3]
Cellobiose 2-epimerase (CE)	DERDXAF	CEEP_RUMAL	Substrate	[4]
Fructokinase (scrK)	DEBW1FU	SCRK_FUSMR	Substrate	[5], [6]
Cellobiose 2-epimerase (CE)	DEGLW18	A0A173SS24_9FIRM	Substrate	[4]
Cellobiose 2-epimerase (CE)	DENTGJO	A0A173Z970_9FIRM	Substrate	[4]
Cellobiose 2-epimerase (CE)	DE4XLDR	A0A174ZCD1_9FIRM	Substrate	[4]
Cellobiose 2-epimerase (CE)	DEGBVKJ	A9KK53_LACP7	Substrate	[4]
Cellobiose 2-epimerase (CE)	DEDY9F6	CEEP_EUBCE	Substrate	[4]
Alpha-glucosidase (aglA)	DEST6E5	A0A173ZA10_9FIRM	Substrate	[7]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Intestinal maltase-glucoamylase (MGAM)	DTT	MGAM	4.59E-01	-0.02	-0.24
Sucrase-isomaltase intestinal (SI)	DME	SI	5.34E-01	-5.94E-03	-1.31E-01

References

• [1] DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41.
• [2] Structural basis for substrate selectivity in human maltase-glucoamylase and sucrase-isomaltase N-terminal domains. J Biol Chem. 2010 Jun 4;285(23):17763-70.
• [3] Rational engineering of Lactobacillus acidophilus NCFM maltose phosphorylase into either trehalose or kojibiose dual specificity phosphorylase. Protein Eng Des Sel. 2010 Oct;23(10):781-7.
• [4] Cloning and sequencing of the gene for cellobiose 2-epimerase from a ruminal strain of Eubacterium cellulosolvens. FEMS Microbiol Lett. 2008 Oct;287(1):34-40.
• [5] Sugar metabolism by fusobacteria: regulation of transport, phosphorylation, and polymer formation by Fusobacterium mortiferum ATCC 25557. Infect Immun. 1991 Dec;59(12):4547-54.
• [6] Clinical Fusobacterium mortiferum isolates cluster with undifferentiated Clostridium rectum species based on 16S rRNA gene phylogenetic analysis. Ann Clin Lab Sci. 2016 May;46(3):279-81.
• [7] Novel alpha-glucosidase from human gut microbiome: substrate specificities and their switch. FASEB J. 2010 Oct;24(10):3939-49.