TOPS-MODE model of multiplexing neuroprotective effects of drugs and experimental-theoretic study of new 1,3-rasagiline derivatives potentially useful in neurodegenerative diseases.

Author: AlonsoNerea, CaamañoOlga, CordeiroM Natália D S, García-MeraXerardo, González-DíazHumberto, LuanFeng, Romero-DuranFrancisco J, YañezMatilde

Paper Details 
Original Abstract of the Article :
The interest on computational techniques for the discovery of neuroprotective drugs has increased due to recent fail of important clinical trials. In fact, there is a huge amount of data accumulated in public databases like CHEMBL with respect to structurally heterogeneous series of drugs, multiple ...See full text at original site
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引用元:
https://doi.org/10.1016/j.bmc.2013.01.035

データ提供:米国国立医学図書館(NLM)

A Computational Approach to Neuroprotective Drug Discovery: A Glimpse into the Future

The quest for effective [neuroprotective drugs] is a complex one, particularly in the face of challenges encountered in recent clinical trials. This study delves into the potential of [computational techniques] to enhance [drug discovery] efforts. The researchers developed a [multi-target/multiplexing quantitative structure-property relationship] (mt-QSAR/mx-QSAR) model to analyze data from [multiple assays] of [neurotoxicity/neuroprotective effects] of drugs. The model was further validated by testing [new 1,3-rasagiline derivatives] in [experimental assays].

A Promising New Model for Predicting Neuroprotective Effects

This study demonstrates the potential of the [TOPS-MODE] mx-QSAR model for [predicting the neuroprotective effects] of drugs. The model achieved a high level of [accuracy] and [sensitivity] in both training and validation, suggesting its ability to identify promising candidates for further investigation. The researchers also highlighted the [neuroprotective effects] of the [new 1,3-rasagiline derivatives], validating the model's predictive power and providing further insight into the potential of these derivatives for treating [neurodegenerative diseases].

Navigating the Desert of Neurodegenerative Disease

The journey to find effective treatments for [neurodegenerative diseases] is often long and arduous, but innovative approaches like those explored in this study offer a glimmer of hope. This research underscores the potential of [computational methods] to accelerate [drug discovery] efforts, potentially leading to new therapies that can help mitigate the impact of these debilitating diseases. It's crucial to remember that this research is just one step in a long process, and further studies are necessary to fully understand the clinical application of these findings.

Dr.Camel's Conclusion

Just as a camel relies on its keen senses to navigate the treacherous terrain of the desert, researchers are employing cutting-edge computational methods to map the complex landscape of neurodegenerative diseases. This study highlights the potential of mx-QSAR modeling to accelerate the discovery of neuroprotective drugs, offering a beacon of hope for individuals facing the challenges of these debilitating conditions. Remember, the journey towards effective treatments is a collaborative one, requiring continued research and innovation to find the most effective solutions.

Date :
  1. Date Completed 2013-08-29
  2. Date Revised 2013-03-18
Further Info :

Pubmed ID

23415089

DOI: Digital Object Identifier

10.1016/j.bmc.2013.01.035

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English

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