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Network Pharmacology

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Potential SARS-CoV-2 nonstructural proteins inhibitors: drugs repurposing with drug-target networks and deep learning.

Frontiers in bioscience (Landmark edition)
BACKGROUND: In the current COVID-19 pandemic, with an absence of approved drugs and widely accessible vaccines, repurposing existing drugs is vital to quickly developing a treatment for the disease.

Feedback-AVPGAN: Feedback-guided generative adversarial network for generating antiviral peptides.

Journal of bioinformatics and computational biology
In this study, we propose , a system that aims to computationally generate novel antiviral peptides (AVPs). This system relies on the key premise of the Generative Adversarial Network (GAN) model and the Feedback method. GAN, a generative modeling ap...

Deep learning-based network pharmacology for exploring the mechanism of licorice for the treatment of COVID-19.

Scientific reports
Licorice, a traditional Chinese medicine, has been widely used for the treatment of COVID-19, but all active compounds and corresponding targets are still not clear. Therefore, this study proposed a deep learning-based network pharmacology approach t...

Network pharmacology: towards the artificial intelligence-based precision traditional Chinese medicine.

Briefings in bioinformatics
Network pharmacology (NP) provides a new methodological perspective for understanding traditional medicine from a holistic perspective, giving rise to frontiers such as traditional Chinese medicine network pharmacology (TCM-NP). With the development ...

Multiorgan locked-state model of chronic diseases and systems pharmacology opportunities.

Drug discovery today
With increasing human life expectancy, the global medical burden of chronic diseases is growing. Hence, chronic diseases are a pressing health concern and will continue to be in decades to come. Chronic diseases often involve multiple malfunctioning ...

Integrating network pharmacology, molecular docking and simulation approaches with machine learning reveals the multi-target pharmacological mechanism of against diabetic nephropathy.

Journal of biomolecular structure & dynamics
Diabetic nephropathy (DN) is one of the most feared complications of diabetes and key cause of end-stage renal disease (ESRD). has been widely used to treat diabetic complications, but exact molecular mechanism is yet to be discovered. Data on activ...

Prediction of quality markers in Maren Runchang pill for constipation using machine learning and network pharmacology.

Molecular omics
Maren Runchang pill (MRRCP) is a Chinese patent medicine used to treat constipation in clinics. It has multi-component and multi-target characteristics, and there is an urgent need to screen markers to ensure its quality. The aim of this study was to...

Exploring the Mechanisms of Sanguinarine in the Treatment of Osteoporosis by Integrating Network Pharmacology Analysis and Deep Learning Technology.

Current computer-aided drug design
BACKGROUND: Sanguinarine (SAN) has been reported to have antioxidant, antiinflammatory, and antimicrobial activities with potential for the treatment of osteoporosis (OP).