SALMONELLA TYPHIMURIUM UNVEILED: IN SILICO INSIGHTS WITH QSAR, DOCKING, AND SIMULATION- REVIEW ARTICLE

Salmonella enterica serovar Typhimurium is a primary enteric pathogen infecting both humans and ani8mals. Infection begins with the ingestion of contaminated food or water so that salmonellae reach the intestinal epithelium and trigger gastrointestinal disease. In some patients the infection spreads upon invasion of the intestinal epithelium, internalization within phagocytes, and subsequent dissemination. In that case, antimicrobial therapy, based on fluoroquinolones and expanded-spectrum cephalosporins as the current drugs of choice, is indicated. To accomplish the pathogenic process, the Salmonella chromosome comprises several virulence mechanisms. The most important virulence genes are those located within the so-called Salmonella pathogenicity islands (SPIs). Thus far, five SPIs have been reported to have a major contribution to pathogenesis. Nonetheless, further virulence traits, such as the split virulence plasmid, adhesins, flagella, and biofilm-related proteins, also contribute to success within the host. Several regulatory mechanisms which synchronize all these elements in order to guarantee bacterial survival have been described.

Keywords: Salmonella; Mutagenicity, TA98+S9 Modelling, TA98-S9 Modelling, QSAR, Molecular Docking.