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Drug Repurposing for COVID-19 by Constructing a Comorbidity Network with Central Nervous System Disorders.
Jing Qian1, Bin Yang1, Shuo Wang1
1MOE Key Laboratory of Geriatric Diseases and Immunology, Suzhou Key Laboratory of Pathogen Bioscience and Anti-Infective Medicine, Department of Bioinformatics, Center for Systems Biology, School of Life Sciences, Suzhou Medical College of Soochow University, Suzhou 215213, China.
International Journal of Molecular Sciences
|August 29, 2024
Summary
This study identifies new drug targets and candidates for COVID-19 by analyzing shared mechanisms with central nervous system (CNS) disorders. It proposes a novel network-based approach for drug repurposing against SARS-CoV-2.
Area of Science:
- Computational Biology
- Neuroscience
- Pharmacology
Background:
- Limited treatment options persist for SARS-CoV-2 (COVID-19) outbreaks.
- Long-term COVID-19 survivors exhibit increased central nervous system (CNS) disorders.
- Shared molecular pathways between COVID-19 and CNS disorders may offer therapeutic insights.
Purpose of the Study:
- To develop an integrative drug-repurposing framework for COVID-19.
- To identify potential drug targets and candidates by integrating comorbidity data with CNS disorders.
- To leverage network-based modular and dynamic perturbation analyses.
Main Methods:
- Constructed a comorbidity network linking COVID-19 proteins/genes with CNS disorders (Alzheimer's, Parkinson's, MS, ASD).
- Performed functional module detection, identifying a protein synthesis module as a key target.
- Utilized dynamic network-based drug-repurposing analysis and molecular dynamics simulations.
Main Results:
- Ubiquitin-carboxy-terminal hydrolase L1 identified as a potential drug target.
- Pregnenolone and BRD-K87426499 suggested as promising drug candidates for COVID-19.
- A novel dynamic-perturbation-network approach was established.
Conclusions:
- The study presents an effective drug-repurposing strategy for COVID-19 by considering CNS comorbidities.
- Identified specific targets and drug candidates for potential therapeutic interventions against SARS-CoV-2.
- Highlights the importance of understanding interconnected molecular mechanisms in disease treatment.
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