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Genomic landscape of the emerging XDR Salmonella Typhi for mining druggable targets clpP, hisH, folP and gpmI and screening of novel TCM inhibitors, molecular docking and simulation analyses by Muneeba Afzal; Syed Shah Hassan; Saman Sohail; Ihosvany Camps; Yasmin Khan; Zarrin Basharat; Asad Karim; Muhammad Aurongzeb; Muhammad Irfan; Muhammad Salman; Carlos M. Morel is a Biochemistry, Genetics and Molecular Biology article available to read on EtoBox.

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## Abstract Typhoid fever is transmitted by ingestion of polluted water, contaminated food, and stool of typhoid-infected individuals, mostly in developing countries with poor hygienic environments. To find novel therapeutic targets and inhibitors, We employed a subtractive genomics strategy towards__Salmonella Typhi__and the complete genomes of eight strains were primarily subjected to the EDGAR tool to predict the core genome (__n__ = 3207). Human non-homology (__n__ = 2450) was followed by essential genes identification (__n__ = 37). The STRING database predicted maximum protein-protein interactions, followed by cellular localization. The virulent/immunogenic ability of predicted genes were checked to differentiate drug and vaccine targets. Furthermore, the 3D models of the identified putative proteins encoded by the respective genes were constructed and subjected to druggability analyses where only “highly druggable” proteins were selected for molecular docking and simulation analyses. The putative targets ATP-dependent CLP protease proteolytic subunit, Imidazole glycerol phosphate synthase hisH, 7,8-dihydropteroate synthase folP and 2,3-bisphosphoglycerate-independent phosphog

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Author

Muneeba Afzal; Syed Shah Hassan; Saman Sohail; Ihosvany Camps; Yasmin Khan; Zarrin Basharat; Asad Karim; Muhammad Aurongzeb; Muhammad Irfan; Muhammad Salman; Carlos M. Morel

Publisher

Springer Science and Business Media LLC

Published

2023

Language

EN

Field

Biochemistry, Genetics and Molecular Biology (Life Sciences)