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In Silico Drug Repurposing Approach: Investigation of <i>Mycobacterium tuberculosis</i> FadD32 Targeted by FDA-Approved Drugs.

Author: MachabaKgothatso Eugene, MhlongoNdumiso Nhlakanipho, NgidiNolwazi Thobeka Portia

Journal ArticleAn article published in an academic or professional journal that reports original research or scholarly analysis.

Overview

Tuberculosis (TB) remains a major global health threat and there is an urgent need for new anti-TB drugs. The authors investigated FDA-approved drugs for their potential to inhibit FadD32, a protein essential for the growth and multiplication of Mycobacterium tuberculosis. They used virtual screening, molecular docking, and molecular dynamic simulation to identify potential inhibitors and found that accolate, an FDA-approved drug for asthma, exhibited the highest binding affinity for FadD32. Further investigation revealed that accolate displayed significant structural stability and lower bimolecular flexibility when bound to FadD32. The authors conclude that accolate may be a promising new anti-TB drug candidate.
Paper Details　
Original Abstract of the Article :
<b>Background</b>: Despite the enormous efforts made towards combating tuberculosis (TB), the disease remains a major global threat. Hence, new drugs with novel mechanisms against TB are urgently needed. Fatty acid degradation protein D32 (FadD32) has been identified as a promising drug target agai...See full text at original site
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引用元：
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8840176/

データ提供：米国国立医学図書館（NLM）

Repurposing FDA-Approved Drugs for Tuberculosis Treatment

This research explores the potential of repurposing FDA-approved drugs to target FadD32, a key enzyme involved in the biosynthesis of mycolic acids, which are essential for the growth and survival of Mycobacterium tuberculosis, the bacteria responsible for tuberculosis. The study used virtual screening, molecular docking, and molecular dynamics simulations to identify potential drug candidates. The researchers found that accolate, a drug currently used for asthma, showed promising binding affinity and potential for inhibiting FadD32.

Drug Repurposing: A New Approach to Tuberculosis Treatment

This research explores the promising field of drug repurposing, which involves identifying new uses for existing drugs. The study suggests that accolate, an FDA-approved drug for asthma, could potentially be repurposed for tuberculosis treatment by inhibiting FadD32, a key enzyme in Mycobacterium tuberculosis. This approach offers a potential shortcut for developing new anti-tuberculosis drugs, as it leverages existing knowledge and safety data from previously approved drugs.

Tuberculosis: A Global Health Threat

Tuberculosis remains a significant global health threat, claiming millions of lives each year. This research highlights the importance of developing new and effective treatments to combat this disease. Repurposing existing drugs offers a promising avenue for accelerating the development of new anti-tuberculosis therapies. It's important to continue exploring innovative approaches like drug repurposing to address the global health challenge of tuberculosis.

Dr.Camel's Conclusion

This research investigates the potential of repurposing FDA-approved drugs to target FadD32, a key enzyme in Mycobacterium tuberculosis. The study identifies accolate, a drug currently used for asthma, as a promising candidate for inhibiting FadD32, offering a potential new avenue for treating tuberculosis.
Date :
  1. Date Completed 2022-02-24
  2. Date Revised 2022-02-24
Further Info :

Pubmed ID

35163931

DOI: Digital Object Identifier

PMC8840176

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