Drug Repurposing Approach for Developing Novel Therapy Against Mupirocin-Resistant Staphylococcus aureus
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Published on: October 17, 2019
Somdutt Mujwar1, Rohitas Deshmukh1, Ranjit K Harwansh1
1Institute of Pharmaceutical Research, GLA University, Mathura, India.
Abstract:
Multidrug resistance (MDR) is a major health issue for the treatment of infectious diseases throughout the world. Staphylococcus aureus (S. aureus) is a Gram-positive bacteria, responsible for various local and systemic infections in humans. The continuous and abrupt use of antibiotics against bacteria such as S. aureus results in the development of resistant strains. Presently, mupirocin (MUP) is the drug of choice against S. aureus and MDR (methicillin-resistant). However, S. aureus has acquired resistance against MUP as well due to isoleucyl-tRNA synthetase (IleS) mutation at sites 588 and 631. Thus, the aim of the present study was to discover novel bioactives against MUP-resistant S. aureus using in silico drug repurposing approaches. In silico drug repurposing techniques were used to obtain suitable bioactive lead molecules such as buclizine, tasosartan, emetine, medrysone, and so on. These lead molecules might be able to resolve this issue. These leads were obtained through molecular docking simulation based virtual screening, which could be promising for the treatment of MUP-resistant S. aureus. The findings of the present work need to be validated further through in vitro and in vivo studies for their clinical application.
Insights
Multidrug resistance in Staphylococcus aureus is a growing problem. This study used computational methods to identify potential new drugs, like buclizine and tasosartan, to combat mupirocin-resistant S. aureus infections.
Area of Science:
- Microbiology
- Infectious Diseases
- Computational Chemistry
Background:
- Multidrug resistance (MDR) in Staphylococcus aureus (S. aureus) poses a significant global health challenge.
- Mupirocin (MUP) resistance in S. aureus is emerging due to specific isoleucyl-tRNA synthetase (IleS) mutations.
- There is an urgent need for novel therapeutic strategies against MUP-resistant S. aureus.
Purpose of the Study:
- To discover novel bioactive compounds effective against mupirocin-resistant S. aureus.
- To utilize in silico drug repurposing approaches for identifying potential drug candidates.
- To screen for lead molecules that can overcome existing resistance mechanisms.
Main Methods:
- Employing in silico drug repurposing techniques.
- Conducting virtual screening using molecular docking simulations.
- Identifying potential lead molecules such as buclizine, tasosartan, emetine, and medrysone.
Main Results:
- Several bioactive lead molecules were identified through virtual screening.
- The identified compounds demonstrated potential efficacy against mupirocin-resistant S. aureus in silico.
- Buclizine, tasosartan, emetine, and medrysone emerged as promising candidates.
Conclusions:
- In silico drug repurposing is a viable strategy for identifying novel antimicrobials.
- The identified lead molecules show promise for treating mupirocin-resistant S. aureus infections.
- Further in vitro and in vivo validation is required for clinical application.
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