Identification of vaccine and drug targets in Shigella dysenteriae sd197 using reverse vaccinology approach

• Published in: Scientific reports 2022-01, Vol.12 (1), p.251-19, Article 251
• Main Authors: Jalal, Khurshid, Abu-Izneid, Tareq, Khan, Kanwal, Abbas, Muhammad, Hayat, Ajmal, Bawazeer, Sami, Uddin, Reaz
• Format: Article
• Language: English
• Subjects: 631/114; 631/154; Animals; Anti-Bacterial Agents - pharmacology; Antigens, Bacterial - immunology; B-Lymphocytes - drug effects; B-Lymphocytes - immunology; B-Lymphocytes - metabolism; B-Lymphocytes - microbiology; Bacterial Proteins - immunology; Bacterial Vaccines - immunology; Bacterial Vaccines - pharmacology; Computer applications; Computer-Aided Design; Diarrhea; Drug Design; Drug development; Dysentery, Bacillary - immunology; Dysentery, Bacillary - metabolism; Dysentery, Bacillary - microbiology; Dysentery, Bacillary - prevention & control; Epitopes; Histocompatibility antigen HLA; Host-Pathogen Interactions; Humanities and Social Sciences; Humans; Immunocompromised hosts; Immunogenicity; Molecular Docking Simulation; Molecular Dynamics Simulation; multidisciplinary; Network Pharmacology; Nucleotide sequence; Peptides; Protein transport; Science; Science (multidisciplinary); Shigella dysenteriae; Shigella dysenteriae - drug effects; Shigella dysenteriae - immunology; Shigella dysenteriae - pathogenicity; Shigellosis; T-Lymphocytes - drug effects; T-Lymphocytes - immunology; T-Lymphocytes - metabolism; T-Lymphocytes - microbiology; Therapeutic targets; Vaccine Development - methods; Vaccines; Vaccinology - methods
• ISSN: 2045-2322; 2045-2322
• DOI: 10.1038/s41598-021-03988-0

Shigellosis is characterized as diarrheal disease that causes a high mortality rate especially in children, elderly and immunocompromised patients. More recently, the World Health Organization advised safe vaccine designing against shigellosis due to the emergence of Shigella dysenteriae resistant strains. Therefore, the aim of this study is to identify novel drug targets as well as the design of the potential vaccine candidates and chimeric vaccine models against Shigella dysenteriae . A computational based Reverse Vaccinology along with subtractive genomics analysis is one of the robust approaches used for the prioritization of drug targets and vaccine candidates through direct screening of genome sequence assemblies. Herein, a successfully designed peptide-based novel highly antigenic chimeric vaccine candidate against Shigella dysenteriae sd197 strain is proposed. The study resulted in six epitopes from outer membrane WP_000188255.1 (Fe (3+) dicitrate transport protein FecA) that ultimately leads to the construction of twelve vaccine models. Moreover, V9 construct was found to be highly immunogenic, non-toxic, non-allergenic, highly antigenic, and most stable in terms of molecular docking and simulation studies against six HLAs and TLRS/MD complex. So far, this protein and multiepitope have never been characterized as vaccine targets against Shigella dysenteriae . The current study proposed that V9 could be a significant vaccine candidate against shigellosis and to ascertain that further experiments may be applied by the scientific community focused on shigellosis.