关键词: Essential genes Genomics Homology modeling Metabolic pathway analysis Molecular docking analysis Multidrug resistance typhoid fever (MDRTF) Salmonella enterica serovar typhi str. Ty2

Mesh : Alkyl and Aryl Transferases / chemistry drug effects metabolism Amino Acid Sequence Anti-Bacterial Agents / pharmacology Genome, Bacterial Host-Pathogen Interactions Humans Molecular Docking Simulation Molecular Dynamics Simulation Molecular Sequence Data Salmonella typhi / drug effects enzymology genetics Sequence Homology, Amino Acid

来  源:   DOI:10.1016/j.gene.2015.11.007   PDF(Sci-hub)

Abstract:
Typhoid presents a major health concern in developing countries with an estimated annual infection rate of 21 million. The disease is caused by Salmonella typhi, a pathogenic bacterium acquiring multiple drug resistance. We aim to identify proteins that could prove to be putative drug targets in the genome of S. typhi str. Ty2. We employed comparative and subtractive genomics to identify targets that are absent in humans and are essential to S. typhi Ty2. We concluded that 46 proteins essential to pathogen are absent in the host genome. Filtration on the basis of drug target prioritization singled out 20 potentially therapeutic targets. Their absence in the host and specificity to S. typhi Ty2 makes them ideal targets for treating typhoid in Homo sapiens. 3D structures of two of the final target enzymes, MurA and MurB have been predicted via homology modeling which are then used for a docking study.
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