title: Comparative genomics study for identification of putative drug targets in Salmonella typhi Ty2.
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.
authors.affiliation: Department of Biosciences, COMSATS Institute of Information Technology, Park Road, Chak Shahzad, Islamabad 45520, Pakistan. Electronic address: nishazaidi20@yahoo.com.
authors.forename: Nisha
authors.initials: N
authors.lastname: Batool
authors.affiliation: Department of Biosciences, COMSATS Institute of Information Technology, Park Road, Chak Shahzad, Islamabad 45520, Pakistan. Electronic address: maleehawaqar.92@gmail.com.
authors.forename: Maleeha
authors.initials: M
authors.lastname: Waqar
authors.affiliation: Department of Biosciences, COMSATS Institute of Information Technology, Park Road, Chak Shahzad, Islamabad 45520, Pakistan. Electronic address: sidra.batool@comsats.edu.pk.
authors.forename: Sidra
authors.initials: S
authors.lastname: Batool
mesh_terms: D019883:Alkyl and Aryl Transferases / Q000737:chemistry / Q000187:drug effects / Q000378:metabolism; D000595:Amino Acid Sequence; D000900:Anti-Bacterial Agents / Q000494:pharmacology*; D016680:Genome, Bacterial; D054884:Host-Pathogen Interactions; D006801:Humans; D062105:Molecular Docking Simulation; D056004:Molecular Dynamics Simulation; D008969:Molecular Sequence Data; D012485:Salmonella typhi / Q000187:drug effects* / Q000201:enzymology / Q000235:genetics; D017386:Sequence Homology, Amino Acid
chemical_list: D000900:Anti-Bacterial Agents; D019883:Alkyl and Aryl Transferases; C022566:UDP-N-acetylglucosamine 1-carboxyvinyltransferase
keywords: Essential genes; Genomics; Homology modeling; Metabolic pathway analysis; Molecular docking analysis; Multidrug resistance typhoid fever (MDRTF); Salmonella enterica serovar typhi str. Ty2