AIMC Topic: RNA-Dependent RNA Polymerase

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Machine learning assessment of zoonotic potential in avian influenza viruses using PB2 segment.

BMC genomics Apr 23, 2025
BACKGROUND: Influenza A virus (IAV) is a major global health threat, causing seasonal epidemics and occasional pandemics. Particularly, Influenza A viruses from avian species pose significant zoonotic threats, with PB2 adaptation serving as a critica...
Animals Risk Assessment Humans Machine Learning Influenza A virus Mutation Influenza in Birds Birds RNA-Dependent RNA Polymerase Viral Proteins Zoonoses
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StackHCV: a web-based integrative machine-learning framework for large-scale identification of hepatitis C virus NS5B inhibitors.

Journal of computer-aided molecular design Oct 8, 2021
Fast and accurate identification of inhibitors with potency against HCV NS5B polymerase is currently a challenging task. As conventional experimental methods is the gold standard method for the design and development of new HCV inhibitors, they often...
Support Vector Machine Algorithms RNA-Dependent RNA Polymerase Hepacivirus Antiviral Agents Internet Enzyme Inhibitors Humans Hepatitis C Viral Nonstructural Proteins Machine Learning
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COSMO-RS-Based Descriptors for the Machine Learning-Enabled Screening of Nucleotide Analogue Drugs against SARS-CoV-2.

The journal of physical chemistry letters Oct 26, 2020
Chemical similarity-based approaches employed to repurpose or develop new treatments for emerging diseases, such as COVID-19, correlates molecular structure-based descriptors of drugs with those of a physiological counterpart or clinical phenotype. W...
Coronavirus Infections Nucleotides Drug Evaluation, Preclinical SARS-CoV-2 Quantum Theory Binding Sites Pneumonia, Viral Pandemics Betacoronavirus Humans RNA-Dependent RNA Polymerase COVID-19 Molecular Docking Simulation Principal Component Analysis Machine Learning RNA, Viral
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A deep learning and molecular modeling approach to repurposing Cangrelor as a potential inhibitor of Nipah virus.

Scientific reports May 12, 2025
Deforestation, urbanization, and climate change have significantly increased the risk of zoonotic diseases. Nipah virus (NiV) of Paramyxoviridae family and Henipavirus genus is transmitted by Pteropus bats. Climate-induced changes in bat migration pa...
Molecular Dynamics Simulation Alanine Drug Repositioning Models, Molecular Adenosine Monophosphate Animals Henipavirus Infections Molecular Docking Simulation Nipah Virus Humans Deep Learning RNA-Dependent RNA Polymerase Antiviral Agents
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Determination of Novel SARS-CoV-2 Inhibitors by Combination of Machine Learning and Molecular Modeling Methods.

Medicinal chemistry (Shariqah (United Arab Emirates)) Jan 1, 2024
INTRODUCTION: Within the scope of the project, this study aimed to find novel inhibitors by combining computational methods. In order to design inhibitors, it was aimed to produce molecules similar to the RdRp inhibitor drug Favipiravir by using the ...
Molecular Dynamics Simulation Protease Inhibitors Peptide Hydrolases RNA-Dependent RNA Polymerase Amides Pyrazines Molecular Docking Simulation Antiviral Agents Artificial Intelligence Machine Learning COVID-19 SARS-CoV-2 Humans
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