AIMC Topic: Cysteine Endopeptidases

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Research progress of the Otubains subfamily in hepatocellular carcinoma.

Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie Aug 28, 2024
In cancer research, oncogenesis can be affected by modulating the deubiquitination pathway. Ubiquitination regulates proteins post-translationally in variety of physiological processes. The Otubain Subfamily includes OTUB1 (ovarian tumor-associated p...
Deubiquitinating Enzymes Liver Neoplasms Cysteine Endopeptidases Carcinoma, Hepatocellular Humans Animals
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A SAR and QSAR study on 3CLpro inhibitors of SARS-CoV-2 using machine learning methods.

SAR and QSAR in environmental research Jul 30, 2024
The 3C-like Proteinase (3CLpro) of novel coronaviruses is intricately linked to viral replication, making it a crucial target for antiviral agents. In this study, we employed two fingerprint descriptors (ECFP_4 and MACCS) to comprehensively character...
SARS-CoV-2 Antiviral Agents Support Vector Machine Machine Learning COVID-19 Cysteine Endopeptidases Betacoronavirus Coronavirus 3C Proteases Quantitative Structure-Activity Relationship Protease Inhibitors
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Drug Design of Targeted Chemical Libraries Based on Artificial Intelligence and Pair-Based Multiobjective Optimization.

Journal of chemical information and modeling Sep 9, 2020
Artificial intelligence and multiobjective optimization represent promising solutions to bridge chemical and biological landscapes by addressing the automated design of compounds as a result of a humanlike creative process. In the present study, we ...
Betacoronavirus Pneumonia, Viral Coronavirus 3C Proteases Small Molecule Libraries Cysteine Endopeptidases Neuraminidase Acetylcholinesterase Enzyme Inhibitors Viral Nonstructural Proteins Cholinesterase Inhibitors Antiviral Agents Coronavirus Infections Drug Design Influenza A virus Artificial Intelligence Pandemics Humans SARS-CoV-2 Neural Networks, Computer Molecular Docking Simulation COVID-19
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Deep Learning Based Drug Screening for Novel Coronavirus 2019-nCov.

Interdisciplinary sciences, computational life sciences Jun 1, 2020
A novel coronavirus, called 2019-nCoV, was recently found in Wuhan, Hubei Province of China, and now is spreading across China and other parts of the world. Although there are some drugs to treat 2019-nCoV, there is no proper scientific evidence abou...
Deep Learning Databases, Nucleic Acid Coronavirus 3C Proteases Betacoronavirus Sequence Alignment Oligopeptides User-Computer Interface Databases, Pharmaceutical Ligands Pneumonia, Viral Antiviral Agents Viral Nonstructural Proteins Structural Homology, Protein Pandemics Catalytic Domain SARS-CoV-2 Cysteine Endopeptidases Humans COVID-19 Drug Evaluation, Preclinical Models, Molecular Amino Acid Sequence Drug Design Molecular Dynamics Simulation Coronavirus Infections
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Drug repurposing targeting COVID-19 3CL protease using molecular docking and machine learning regression approaches.

Scientific reports May 28, 2025
The COVID-19 pandemic has initiated a global health emergency, with an exigent need for an effective cure. Progressively, drug repurposing is emerging as a promising solution for saving time, cost, and labor. However, the number of drug candidates th...
Protein Binding Humans Drug Repositioning Cysteine Endopeptidases Machine Learning COVID-19 Drug Treatment Quantitative Structure-Activity Relationship Betacoronavirus Molecular Docking Simulation COVID-19 Viral Nonstructural Proteins Coronavirus 3C Proteases SARS-CoV-2 Antiviral Agents Pandemics
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