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Literature summary for 2.4.1.227 extracted from

  • Amera, G.M.; Khan, R.J.; Pathak, A.; Jha, R.K.; Muthukumaran, J.; Singh, A.K.
    Screening of promising molecules against MurG as drug target in multi-drug-resistant-Acinetobacter baumannii - insights from comparative protein modeling, molecular docking and molecular dynamics simulation (2019), J. Biomol. Struct. Dyn., 2019, 1-23 .
    View publication on PubMed
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Application

Application Comment Organism
drug development the enzyme is an important and unique drug target in Acinetobacter baumannii since it plays a key role during the synthesis of peptidoglycan and it is not found in Homo sapiens. In-silico based exploring of potential lead candidates from the library of natural products for the treatment of Acinetobacter baumannii infections is accomplished with the aid of systematic computational analysis. A 3D model of MurG is predicted using comparative protein modeling approach based on homologous MurG structure from Escherichia coli (strain K12) (PDB ID: 1F0K). Concordance binding site analysis is performed to identify the putative ligand binding sites of optimized MurG model for virtual screening and docking studies against natural compounds subset of Zinc database Acinetobacter baumannii

Inhibitors

Inhibitors Comment Organism Structure
ZINC09186673
-
 Acinetobacter baumannii
ZINC09956120
-
 Acinetobacter baumannii

Localization

Localization Comment Organism GeneOntology No. Textmining
plasma membrane
-
 Acinetobacter baumannii 5886
-

Organism

Organism UniProt Comment Textmining
Acinetobacter baumannii B0V9F5
-
-
Acinetobacter baumannii AYE B0V9F5
-
-

Synonyms

Synonyms Comment Organism
MurG
-
 Acinetobacter baumannii

General Information

General Information Comment Organism
drug target the enzyme is an important and unique drug target in Acinetobacter baumannii since it plays a key role during the synthesis of peptidoglycan and it is not found in Homo sapiens Acinetobacter baumannii