Compound ID | 42

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Peptide 1018

Synonym(s): IDR-1018

Class: Antimicrobial peptide

Agent Type: Semisynthetic; Indirect acting; Antivirulence; Antibiofilm;
Spectrum of activity: Gram-positive & Gram-negative
Mechanism of action: Immunomodulator; additionally shows antibiofilm properties and prevents bacterial swarming
Target Pathogen: Active against biofilms of Enterococcus faecium, Staphylococcus aureus, Klebsiella pneumoniae, Acinetobacter baumannii, Pseudomonas aeruginosa, and Enterobacter species when combined with standard antibiotics
Combined with other compounds: Yes
Description: Semisynthetic compound developed from natural product bactenecin (peptide antibiotic isolated from bovine neutrophil granules)
Institute where first reported: Centre for Microbial Diseases and Immunity Research, Department of Microbiology and Immunology, University of British Columbia, Vancouver, Canada
Year first mentioned: 2012
Development status: Experimental
Chemical structure(s):
Click here for structure editor
Molecular weight: 1535.93
Iso. SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C(C)C)N
InChI Key: RNOHIZCXHRBFRE-MUOSHHONSA-N
Can. SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C(C)C)N
InChI: InChI=1S/C71H126N26O12/c1-14-39(11)54(66(108)93-50(33-42-34-86-44-23-17-16-22-43(42)44)61(103)89-46(25-19-29-83-69(76)77)58(100)88-45(56(73)98)24-18-28-82-68(74)75)96-60(102)48(27-21-31-85-71(80)81)91-65(107)53(38(9)10)94-57(99)41(13)87-64(106)52(37(7)8)95-67(109)55(40(12)15-2)97-62(104)49(32-35(3)4)92-59(101)47(26-20-30-84-70(78)79)90-63(105)51(72)36(5)6/h16-17,22-23,34-41,45-55,86H,14-15,18-21,24-33,72H2,1-13H3,(H2,73,98)(H,87,106)(H,88,100)(H,89,103)(H,90,105)(H,91,107)(H,92,101)(H,93,108)(H,94,99)(H,95,109)(H,96,102)(H,97,104)(H4,74,75,82)(H4,76,77,83)(H4,78,79,84)(H4,80,81,85)/t39-,40-,41-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/155527735
Citations:
  • http://aac.asm.org/content/58/9/5363.full
  • http://journals.plos.org/plosone/article?id=10.1371/journal.pone.0039373
  • https://journals.plos.org/plosone/article?id=10.1371/journal.pone.0059119#pone.0059119-Achtman1

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