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

General Information of Drug (ID: DMFDQ3I)

• Drug Name: Daptomycin Drug Info
• Synonyms: Dapcin; Daptomicina; Daptomycine; Daptomycinum; LY 146032; LY-146032; LY146032; (2S)-daptomycin; 103060-53-3; C72H101N17O26; Cidecin; Cubicin; DAPTOMYCIN; CHEBI:600103; N-decanoyl-L-tryptophyl-L-asparaginyl-N-[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-[(2R)-1-carboxypropan-2-yl]-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclohentriacontan-30-yl]-L-alpha-asparagine; SCHEMBL28102

Indication

Disease Entry	ICD 11	Status	REF
Bacterial infection	1A00-1C4Z	Approved	[1]
Skin infection	1F28-1G0Z	Investigative	[2]

• Cross-matching ID:
  PubChem CID: 16134395
  ChEBI ID: CHEBI:600103
  CAS Number: CAS 103060-53-3
  TTD Drug ID: DMFDQ3I
  INTEDE Drug ID: DR2142

Molecule-Related Drug Atlas

Drug(s) Targeting Bacterial Dihydropteroate synthetase (Bact folP)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Sulfamethoxazole	DMB08GE	Acute otitis media	AB00	Approved	[5]
Sulfadiazine	DMTW3R8	Rheumatic fever	1B40-1B42	Approved	[6]
Doripenem	DM9UCJK	Cholecystitis		Approved	[7]
Colistin	DMMD9QE	Pseudomonas infection	1B92	Approved	[8]
Sulphadoxine	DMZI2UF	Malaria	1F40-1F45	Approved	[9]
Sulfisoxazole	DMXLT8C	Acute otitis media	AB00	Approved	[10]
Sulfapyridine	DMIUYFH	Dermatitis herpetiformis	EB44	Approved	[11]
Gramicidin D	DMPT74U	Bacterial infection	1A00-1C4Z	Approved	[12]
Oritavancin	DM28D05	Bacterial infection	1A00-1C4Z	Approved	[7]
Faropenem	DMX7A5V	Gram-positive bacterial infection	1B74-1G40	Approved	[7]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial Dihydropteroate synthetase (Bact folP)	TT4ILYC	DHPS_ECOLI	Binder	[3]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
CDP-alcohol phosphatidyltransferase (pgsA)	DE49HWX	A0A081Q830_STRMT	Substrate	[4]
CDP-alcohol phosphatidyltransferase (pgsA)	DETMA7Z	A0A081R409_STROR	Substrate	[4]

References

• [1] How many modes of action should an antibiotic have Curr Opin Pharmacol. 2008 Oct;8(5):564-73.
• [2] Daptomycin FDA Label
• [3] Structural transitions as determinants of the action of the calcium-dependent antibiotic daptomycin. Chem Biol. 2004 Jul;11(7):949-57.
• [4] Mutations in cdsA and pgsA correlate with daptomycin resistance in Streptococcus mitis and S. oralis. Antimicrob Agents Chemother. 2019 Jan 29;63(2). pii: e01531-18.
• [5] In vitro activities of novel antifolate drug combinations against Plasmodium falciparum and human granulocyte CFUs. Antimicrob Agents Chemother. 1995 Apr;39(4):948-52.
• [6] Sulfadiazine/hydroxypropyl-beta-cyclodextrin host-guest system: Characterization, phase-solubility and molecular modeling. Bioorg Med Chem. 2008 May 15;16(10):5788-94.
• [7] Emerging drugs for bacterial urinary tract infections. Expert Opin Emerg Drugs. 2005 May;10(2):275-98.
• [8] Polymyxin B sulfate and colistin: old antibiotics for emerging multiresistant gram-negative bacteria. Ann Pharmacother. 1999 Sep;33(9):960-7.
• [9] The fight against drug-resistant malaria: novel plasmodial targets and antimalarial drugs. Curr Med Chem. 2008;15(2):161-71.
• [10] Inhibition of recombinant Pneumocystis carinii dihydropteroate synthetase by sulfa drugs. Antimicrob Agents Chemother. 1995 Aug;39(8):1756-63.
• [11] A confirmatory method for the simultaneous extraction, separation, identification and quantification of Tetracycline, Sulphonamide, Trimethoprim an... J Chromatogr A. 2009 Nov 13;1216(46):8110-6.
• [12] Structures of gramicidins A, B, and C incorporated into sodium dodecyl sulfate micelles. Biochemistry. 2001 Oct 2;40(39):11676-86.