Cascade Ligand- and Structure-Based Virtual Screening to Identify New Trypanocidal Compounds Inhibiting Putrescine Uptake.

Author: Alba SotoCatalina D, AlbercaLucas N, CarrilloCarolina, DietrichRoque, FraccaroliLaura, MirandaCristian G, MoralesJuan F, PalestroPablo H, Pino MartínezAgustina M, RuizMaría D, SbaragliniMaría L, TaleviAlan

Paper Details 
Original Abstract of the Article :
Chagas disease is a neglected tropical disease endemic to Latin America, though migratory movements have recently spread it to other regions. Here, we have applied a cascade virtual screening campaign combining ligand- and structure-based methods. In order to find novel inhibitors of putrescine upta...See full text at original site
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引用元:
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5981162/

データ提供:米国国立医学図書館(NLM)

Identifying New Trypanocidal Compounds Inhibiting Putrescine Uptake

Chagas disease, a neglected tropical disease, is a formidable foe, like a desert beast lurking in the shadows. This study explores a novel approach to combatting this disease, focusing on the identification of new trypanocidal compounds that inhibit putrescine uptake in *Trypanosoma cruzi*, the parasite responsible for Chagas disease. Like a skilled explorer searching for a hidden oasis, researchers used a combination of ligand- and structure-based virtual screening methods to identify potential drug candidates.

Virtual Screening and Drug Repositioning

The study utilized a virtual screening campaign, applying a series of filters and computational methods to identify promising drug candidates. Think of this as sifting through vast amounts of data, like a camel carefully searching for a hidden spring in the desert. The researchers identified several potential drug candidates, including cinnarizine, a drug used for motion sickness, and clofazimine, an antibiotic with known trypanocidal effects. These findings highlight the potential for drug repositioning, where existing drugs are repurposed to treat new diseases.

The Promise of Drug Repositioning

This research offers hope for the development of new treatments for Chagas disease. By repurposing existing drugs, we can potentially accelerate the process of drug discovery and development. Imagine a camel encountering a well-worn path in the desert, leading to a hidden oasis. Similarly, drug repositioning can provide a shortcut to new therapies, bringing hope to patients battling this debilitating disease.

Dr.Camel's Conclusion

The desert of neglected tropical diseases is vast and unforgiving, but we are making progress. This study demonstrates the power of computational approaches, combined with drug repositioning strategies, in the fight against Chagas disease. By continuing to explore new frontiers and uncover hidden treasures in the vast landscape of drug discovery, we can bring hope and healing to those affected by this devastating disease.
Date :
  1. Date Completed 2019-06-13
  2. Date Revised 2023-11-12
Further Info :

Pubmed ID

29888213

DOI: Digital Object Identifier

PMC5981162

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Languages

English

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