AIMC Topic: Angiotensin-Converting Enzyme 2

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ScoMorphoFISH: A deep learning enabled toolbox for single-cell single-mRNA quantification and correlative (ultra-)morphometry.

Journal of cellular and molecular medicine May 20, 2022
Increasing the information depth of single kidney biopsies can improve diagnostic precision, personalized medicine and accelerate basic kidney research. Until now, information on mRNA abundance and morphologic analysis has been obtained from differen...
Angiotensin-Converting Enzyme 2 Humans Deep Learning RNA, Messenger COVID-19 SARS-CoV-2
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Machine Learning augmented docking studies of aminothioureas at the SARS-CoV-2-ACE2 interface.

PloS one Sep 9, 2021
The current pandemic outbreak clearly indicated the urgent need for tools allowing fast predictions of bioactivity of a large number of compounds, either available or at least synthesizable. In the computational chemistry toolbox, several such tools ...
Thiourea Angiotensin-Converting Enzyme 2 SARS-CoV-2 Humans Protein Binding Antiviral Agents Machine Learning Molecular Dynamics Simulation
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Machine Learning Reveals the Critical Interactions for SARS-CoV-2 Spike Protein Binding to ACE2.

The journal of physical chemistry letters Jun 4, 2021
SARS-CoV and SARS-CoV-2 bind to the human ACE2 receptor in practically identical conformations, although several residues of the receptor-binding domain (RBD) differ between them. Herein, we have used molecular dynamics (MD) simulations, machine lear...
Spike Glycoprotein, Coronavirus Angiotensin-Converting Enzyme 2 Humans Models, Molecular Machine Learning Binding Sites Molecular Dynamics Simulation
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Gene selection using hybrid dragonfly black hole algorithm: A case study on RNA-seq COVID-19 data.

Analytical biochemistry May 8, 2021
This paper introduces a new hybrid approach (DBH) for solving gene selection problem that incorporates the strengths of two existing metaheuristics: binary dragonfly algorithm (BDF) and binary black hole algorithm (BBHA). This hybridization aims to i...
Humans Gene Expression Profiling Sequence Analysis, RNA Support Vector Machine Microarray Analysis COVID-19 Algorithms Neoplasms Angiotensin-Converting Enzyme 2
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Predicting Potential SARS-COV-2 Drugs-In Depth Drug Database Screening Using Deep Neural Network Framework SSnet, Classical Virtual Screening and Docking.

International journal of molecular sciences Feb 4, 2021
Severe Acute Respiratory Syndrome Corona Virus 2 has altered life on a global scale. A concerted effort from research labs around the world resulted in the identification of potential pharmaceutical treatments for CoVID-19 using existing drugs, as we...
Angiotensin-Converting Enzyme 2 Databases, Pharmaceutical Drug Repositioning Drug Evaluation, Preclinical COVID-19 Drug Treatment Algorithms SARS-CoV-2 Molecular Docking Simulation Drug Discovery Antiviral Agents Spike Glycoprotein, Coronavirus Neural Networks, Computer Machine Learning COVID-19 Humans
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Target-Centered Drug Repurposing Predictions of Human Angiotensin-Converting Enzyme 2 (ACE2) and Transmembrane Protease Serine Subtype 2 (TMPRSS2) Interacting Approved Drugs for Coronavirus Disease 2019 (COVID-19) Treatment through a Drug-Target Interaction Deep Learning Model.

Viruses Nov 18, 2020
Previously, our group predicted commercially available Food and Drug Administration (FDA) approved drugs that can inhibit each step of the replication of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) using a deep learning-based drug-ta...
Humans Virus Internalization SARS-CoV-2 Serine Endopeptidases Drug Repositioning Virus Replication Deep Learning Hepacivirus Drug Development Angiotensin-Converting Enzyme 2 COVID-19 Drug Treatment
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Decreased circulating catestatin levels are associated with coronary artery disease: The emerging anti-inflammatory role.

Atherosclerosis Dec 24, 2018
BACKGROUND AND AIMS: The neuropeptide catestatin (CST) is an endogenous nicotinic cholinergic antagonist that acts as pleiotropic cardiac protective hormone. This study investigated the association between CST and coronary artery disease (CAD) and th...
Down-Regulation Cell Adhesion Molecules Angiotensin-Converting Enzyme 2 Male Biomarkers Plaque, Atherosclerotic Humans Severity of Illness Index Anti-Inflammatory Agents Female Case-Control Studies Chromogranin A Cells, Cultured Coronary Artery Disease Animals Disease Models, Animal Atherosclerosis Mice, Knockout, ApoE Human Umbilical Vein Endothelial Cells Cytokines Peptidyl-Dipeptidase A Peptide Fragments
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Computationally designed proteins mimic antibody immune evasion in viral evolution.

Immunity Jun 10, 2025
Recurrent waves of viral infection necessitate vaccines and therapeutics that remain effective against emerging viruses. Our ability to evaluate interventions is currently limited to assessments against past or circulating variants, which likely diff...
Angiotensin-Converting Enzyme 2 Immune Evasion Spike Glycoprotein, Coronavirus Evolution, Molecular Humans Antibodies, Neutralizing COVID-19 Animals SARS-CoV-2 COVID-19 Vaccines Antibodies, Viral
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Using Machine Learning to Analyze Molecular Dynamics Simulations of Biomolecules.

The journal of physical chemistry. B Jun 5, 2025
Machine learning (ML) techniques have become powerful tools in both industrial and academic settings. Their ability to facilitate analysis of complex data and generation of predictive insights is transforming how scientific problems are approached ac...
Protein Binding Spike Glycoprotein, Coronavirus Molecular Dynamics Simulation Angiotensin-Converting Enzyme 2 Humans Machine Learning SARS-CoV-2
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Insights into performance evaluation of compound-protein interaction prediction methods.

Bioinformatics (Oxford, England) Sep 16, 2022
MOTIVATION: Machine-learning-based prediction of compound-protein interactions (CPIs) is important for drug design, screening and repurposing. Despite numerous recent publication with increasing methodological sophistication claiming consistent impro...
SARS-CoV-2 Ligands Angiotensin-Converting Enzyme 2 Humans Machine Learning
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