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Published on: April 23, 2012
In silico analysis and prioritization of drug targets in Fusarium solani
Muthukumaran Sivashanmugam1, Hemavathy Nagarajan2, Umashankar Vetrivel1
1Centre for Bioinformatics, Vision Research Foundation, Chennai, India.
Abstract:
Mycotic keratitis has emerged as a major ophthalmic problem and a leading cause of blindness, since its recognition in 1879. Filamentous fungi are major causative of mycotic keratitis. In India, the main etiological organism responsible for mycotic keratitis is Aspergillus species followed by Fusarium species. In South India, Fusarium based keratitis scales up to 43%. Nearly one-third of mycotic keratitis treatment results in failure, as fungal infections are highly resistant to antibiotic therapies. Therefore, there is need to determine novel and specific targets to constrain Fusarium infections in human eye. In this study, we implemented subtractive proteomics coupled with in silico functional annotation to prioritize potential and specific drug targets which can be used to modulate the virulence of Fusarium solani subsp.pisi (Nectria haematococca MPVI). The results infer that Thiamine thiazole synthase (Thi4), an intracellular membrane bound protein as the potential target, which is a core protein in biological and metabolic process of this pathogen. Moreover, this protein occurs in the thiamine thiazole biosynthesis pathway which is unique to F.solani and devoid in human. Hence, we predicted a plausible structure for this protein and also performed ligand-binding cavity analysis which can be for a strong base for drug designing studies. This study will pave way in better understanding of potential drug targets in F.solani and also leading to therapeutic interventions of fungal keratitis.
Insights
Mycotic keratitis, a leading cause of blindness, is difficult to treat. Researchers identified Thiamine thiazole synthase (Thi4) in Fusarium solani as a potential drug target unique to the fungus.
Area of Science:
- Ophthalmology
- Mycology
- Drug Discovery
Background:
- Mycotic keratitis is a significant cause of blindness, particularly in South India, with Fusarium species being a primary etiological agent.
- Fungal infections are notoriously resistant to antibiotics, leading to treatment failures in nearly one-third of mycotic keratitis cases.
- Novel therapeutic targets are crucial for effectively managing Fusarium infections in the human eye.
Purpose of the Study:
- To identify and prioritize specific drug targets for modulating the virulence of Fusarium solani subsp. pisi (Nectria haematococca MPVI).
- To explore potential therapeutic interventions for fungal keratitis by understanding Fusarium drug targets.
Main Methods:
- Subtractive proteomics was employed to identify potential drug targets.
- In silico functional annotation was used to prioritize targets specific to Fusarium solani.
- Protein structure prediction and ligand-binding cavity analysis were performed for the identified target.
Main Results:
- Thiamine thiazole synthase (Thi4), an intracellular membrane-bound protein, was identified as a potential drug target.
- Thi4 is essential for the biological and metabolic processes of Fusarium solani.
- The thiamine thiazole biosynthesis pathway, involving Thi4, is unique to Fusarium solani and absent in humans.
Conclusions:
- Thiamine thiazole synthase (Thi4) represents a promising, pathogen-specific drug target for Fusarium solani.
- This study provides a foundation for drug design targeting fungal keratitis, potentially leading to new therapeutic strategies.
- Understanding unique fungal metabolic pathways is key to developing effective treatments for resistant infections.
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