title: Proteome mining for drug target identification in Listeria monocytogenes strain EGD-e and structure-based virtual screening of a candidate drug target penicillin binding protein 4.
abstract: We used a combination of in-silico approaches to identify 168 promising drug targets in the proteome of a multidrug-resistant Listeria monocytogenes strain; of these, one (PBP4) was particularly promising. Virtual screening using it, followed by reverse docking, revealed four compounds namely NCI524121, CAP332797, NCI524136 and ZINC00518462 as good multi-target leads.
authors.affiliation: Integral University, Dasuli, Bas-ha Kursi Road, Lucknow, India; Department of Gastroenterology, Sanjay Gandhi Postgraduate Institute of Medical Sciences, Lucknow, India.
authors.forename: Aditya Narayan
authors.initials: AN
authors.lastname: Sarangi
authors.affiliation: Integral University, Dasuli, Bas-ha Kursi Road, Lucknow, India.
authors.forename: Mohtasim
authors.initials: M
authors.lastname: Lohani
authors.affiliation: Department of Gastroenterology, Sanjay Gandhi Postgraduate Institute of Medical Sciences, Lucknow, India. Electronic address: aggarwal.ra@gmail.com.
authors.forename: Rakesh
authors.initials: R
authors.lastname: Aggarwal
mesh_terms: D000900:Anti-Bacterial Agents / Q000378:metabolism / Q000494:pharmacology*; D003198:Computer Simulation; D057225:Data Mining; D055808:Drug Discovery / Q000379:methods*; D008024:Ligands; D008089:Listeria monocytogenes / Q000737:chemistry* / Q000187:drug effects* / Q000235:genetics; D053858:Metabolic Networks and Pathways / Q000235:genetics; D008826:Microbial Sensitivity Tests; D046915:Penicillin-Binding Proteins / Q000032:analysis* / Q000037:antagonists & inhibitors* / Q000378:metabolism; D020543:Proteome / Q000032:analysis*
chemical_list: D000900:Anti-Bacterial Agents; D008024:Ligands; D046915:Penicillin-Binding Proteins; D020543:Proteome
keywords: Drug target; Proteome subtraction; Reverse docking; Virtual screening