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Updated: Sep 7, 2025
Bio-energetics Investigation of Candida albicans Using Real-time Extracellular Flux Analysis
Published on: March 19, 2019
Repurposing benzbromarone as antifolate to develop novel antifungal therapy for Candida albicans
Somdutt Mujwar1, Avanish Tripathi2
1M.M. College of Pharmacy, Maharishi Markandeshwar University, Mullana-133207 Haryana, India. somduttmujwar@gmail.com.
Abstract:
Fungal infections in humans are responsible for mild to severe infections resulting in systemic effects that cause a large amount of mortality. Invasive fungal infections are having similar symptomatic effects to those of COVID-19. The COVID-19 patients are immunocompromised in nature and have a high probability of developing severe fungal infections, resulting in the development of further complications. The existing antifungal therapy has associated problems related to the development of drug resistance, being sub-potent in nature, and the presence of undesirable toxic effects. The fungal dihydrofolate reductase is an essential enzyme involved in the absorption of dietary folic acid and its conversion into tetrahydrofolate, which is a coenzyme required for the biosynthesis of the fungal nucleotides. Thus, in the current study, an attempt has been made to identify potential folate inhibitors of Candida albicans by a computational drug repurposing approach. Based upon the molecular docking simulation-based virtual screening followed by the molecular dynamic simulation of the macromolecular complex, benzbromarone has been identified as a potential anti-folate agent for the development of a novel therapy for the treatment of candidiasis.
Insights
Researchers identified benzbromarone as a potential new antifungal drug targeting Candida albicans. This computational study explored novel folate inhibitors to combat drug resistance and improve candidiasis treatment.
Area of Science:
- Medical Mycology
- Computational Chemistry
- Drug Discovery
Background:
- Fungal infections cause significant mortality, with invasive cases presenting symptoms similar to COVID-19.
- Immunocompromised patients, including those with COVID-19, are at high risk for severe fungal infections.
- Current antifungal therapies face challenges with drug resistance, reduced potency, and toxicity.
Purpose of the Study:
- To identify novel folate inhibitors for Candida albicans using computational drug repurposing.
- To address limitations of existing antifungal treatments, including resistance and toxicity.
Main Methods:
- Employed molecular docking simulations for virtual screening of potential drug candidates.
- Utilized molecular dynamic simulations to analyze the stability of macromolecular complexes.
- Focused on inhibiting fungal dihydrofolate reductase, essential for nucleotide biosynthesis.
Main Results:
- Benzbromarone was identified as a promising anti-folate agent through virtual screening and molecular dynamics.
- The study highlights benzbromarone's potential as a novel therapeutic for candidiasis.
Conclusions:
- Computational drug repurposing can effectively identify new antifungal agents.
- Benzbromarone shows potential for developing novel therapies against Candida albicans infections.
- Targeting fungal dihydrofolate reductase is a viable strategy for antifungal drug development.
