AIMC Topic: Drug Discovery

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Knowledge-Based Artificial Intelligence System for Drug Prioritization.

Journal of chemical information and modeling
drug prioritization may be a promising and time-saving strategy to identify potential drugs, standing as a faster and more cost-effective approach than approaches. In recent years, artificial intelligence has greatly evolved the drug development pr...

Machine Learning-Guided Screening and Molecular Docking for Proposing Naturally Derived Drug Candidates Against MERS-CoV 3CL Protease.

International journal of molecular sciences
In this study, we utilized machine learning techniques to identify potential inhibitors of the MERS-CoV 3CL protease. Among the models evaluated, the Random Forest (RF) algorithm exhibited the highest predictive performance, achieving an accuracy of ...

SS-DTI: A deep learning method integrating semantic and structural information for drug-target interaction prediction.

Journal of bioinformatics and computational biology
Drug-target interaction (DTI) prediction is pivotal in drug discovery and repurposing, providing a more efficient alternative to traditional wet-lab experiments by saving time and resources and expediting the identification of potential targets. Curr...

NNSFMDA: Lightweight Transformer Model with Bounded Nuclear Norm Minimization for Microbe-Drug Association Prediction.

Journal of molecular biology
Identifying potential connections between microbe-drug pairs play an important role in drug discovery and clinical treatment. Techniques like graph neural networks effectively derive accurate node representations from sparse topologies,however, they ...

A new era in nephrology: the role of super-resolution microscopy in research, medical diagnostic, and drug discovery.

Kidney international
For decades, electron microscopy has been the primary method to visualize ultrastructural details of the kidney, including podocyte foot processes and the slit diaphragm. Despite its status as the gold standard, electron microscopy has significant li...

Pan-cancer analysis of CDC7 in human tumors: Integrative multi-omics insights and discovery of novel marine-based inhibitors through machine learning and computational approaches.

Computers in biology and medicine
Cancer remains a significant global health challenge, with the Cell Division Cycle 7 (CDC7) protein emerging as a potential therapeutic target due to its critical role in tumor proliferation, survival, and resistance. However, a comprehensive analysi...

Digital evolution: Novo Nordisk's shift to ontology-based data management.

Journal of biomedical semantics
The amount of biomedical data is growing, and managing it is increasingly challenging. While Findable, Accessible, Interoperable and Reusable (FAIR) data principles provide guidance, their adoption has proven difficult, especially in larger enterpris...

A Review of In Silico Approaches for Discovering Natural Viral Protein Inhibitors in Aquaculture Disease Control.

Journal of fish diseases
Viral diseases pose a significant threat to the sustainability of global aquaculture, causing economic losses and compromising food security. Traditional control methods often demonstrate limited effectiveness, highlighting the need for alternative a...

Embracing the changes and challenges with modern early drug discovery.

Expert opinion on drug discovery
INTRODUCTION: The landscape of early drug discovery is rapidly evolving, fueled by significant advancements in artificial intelligence (AI) and machine learning (ML), which are transforming the way drugs are discovered. As traditional drug discovery ...

Probing the dark chemical matter against PDE4 for the management of psoriasis using in silico, in vitro and in vivo approach.

Molecular diversity
The potential downsides for the present treatment for psoriasis are drug resistance, reduced efficacy, risk of mental episodes, and drug interactions. Hence, this study aims to discover a new drug for psoriasis by considering global research efforts ...