Identification of potential drug targets in human pathogen Bacillus cereus and insight for finding inhibitor through subtractive proteome and molecular docking studies
| Autor: | N. Anis Ahamed, V. Ambikapathy, Annamalai Panneerselvam, Ibrahim A. Arif, Ashraf A. Mostafa, Muthusamy Jeyam, M Hussain Syed Abuthakir |
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| Jazyk: | angličtina |
| Rok vydání: | 2021 |
| Předmět: |
0301 basic medicine
Proteome medicine.drug_class 030106 microbiology Antibiotics Bacillus cereus Druggability Foodborne Human pathogen Microbiology lcsh:Infectious and parasitic diseases Foodborne Diseases 03 medical and health sciences 0302 clinical medicine medicine Animals Humans lcsh:RC109-216 030212 general & internal medicine Pathogen Putative drug target biology lcsh:Public aspects of medicine Public Health Environmental and Occupational Health lcsh:RA1-1270 General Medicine biology.organism_classification Molecular Docking Simulation Infectious Diseases Pharmaceutical Preparations Cereus Docking (molecular) Food Microbiology B. cereus Network analysis |
| Zdroj: | Journal of Infection and Public Health, Vol 14, Iss 1, Pp 160-168 (2021) |
| ISSN: | 1876-0341 |
| Popis: | Bacillus cereus is a gram-positive, anaerobic, spore-forming bacterium related to food poisoning in humans. Vomit and diarrhea are the symptoms of foodborne B. cereus infection caused by emetic toxins and three enterotoxins, respectively. This bacterium is broadly present in soil and foods such as vegetables, spices, milk, and meat. The antibiotics impenem, vancomycin, chloramphenicol, gentamicin, and ciprofloxacin are used for all susceptible strains of B. cereus. But these antibiotics cause side effects in the host due to the drug-host interaction; because the targeted proteins by the drugs are not pathogen specific proteins, they are similar to human proteins also. To overcome this problem, this study focused on identifying putative drug targets in the pathogen B. cereus and finding new drugs to inhibit the function of the pathogen. The identification of drug targets is a pipeline process, starting with the identification of targets non-homologous to human and gutmicrobiota proteins, finding essential proteins, finding other proteins that highly interact with these essential proteins that are also highly important for protein network stability, finding cytoplasmic proteins with a clear pathway and known molecular function, and finding non-druggable proteins. Through this process, two novel drug targets were identified in B. cereus. Among the various antibiotics, Gentamicin had showed good binding affinity with the identified novel targets through molecular modeling and docking studies using Prime and GLIDE module of Schrödinger. Hence, this study suggest that the identified novel drug targets may very useful in drug therapeutic field for finding inhibitors which are similar to Gentamicin and designing new formulation of drug molecules to control the function of the foodborne illness causing pathogen B. cereus. |
| Databáze: | OpenAIRE |
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