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Genome-Based Drug Target Identification in Human Pathogen Streptococcus gallolyticus
Nosheen Afzal Qureshi1, Syeda Marriam Bakhtiar1, Muhammad Faheem2
1Department of Bioinformatics and Biosciences, Capital University of Science and Technology, Islamabad, Pakistan.
Frontiers in Genetics
|April 12, 2021
Summary
New computational methods identified novel drug and vaccine targets for Streptococcus gallolysticus (Sg) infections. This research addresses antibiotic resistance by pinpointing essential bacterial proteins not found in humans for therapeutic development.
Area of Science:
- Microbiology
- Computational Biology
- Drug Discovery
Background:
- Streptococcus gallolysticus (Sg) is an opportunistic pathogen causing infective endocarditis.
- Increasing antibiotic resistance in Sg necessitates novel therapeutic strategies and drug targets.
Purpose of the Study:
- To identify potential therapeutic targets and drug candidates against Sg using an in silico approach.
- To leverage genomic and proteomic data for novel drug and vaccine target discovery.
Main Methods:
- Pan-genomic analysis to identify 1,138 core proteins in Sg.
- Subtractive proteomic analysis to select 18 essential, non-human homologous proteins.
- Molecular docking of selected proteins against drug-like compounds from the ZINC database.
Main Results:
- Identified 12 cytoplasmic proteins as potential drug targets.
- Screened compounds against these targets, identifying those with lower binding energy.
- Discovered novel drug and vaccine targets for Sg, some previously validated in other species.
Conclusions:
- The in silico methodology provides a significant contribution to identifying drug/vaccine targets for Sg.
- The identified targets and compounds offer a promising avenue for combating Sg-induced infective endocarditis.
- This study lays the groundwork for experimental validation of novel therapeutic strategies against Sg.
Keywords:
Streptococcus gallollyticusdrug prioritizationinfective endocarditispan-genomesubtractive proteomics
