AIMC Topic: HIV-1

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Evolution of drug resistance in HIV protease.

BMC bioinformatics Dec 30, 2020
BACKGROUND: Drug resistance is a critical problem limiting effective antiviral therapy for HIV/AIDS. Computational techniques for predicting drug resistance profiles from genomic data can accelerate the appropriate choice of therapy. These techniques...
Humans Machine Learning HIV-1 Phenotype Drug Resistance, Viral HIV Infections HIV Protease Genotype HIV Protease Inhibitors Evolution, Molecular
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Virtual screening of anti-HIV1 compounds against SARS-CoV-2: machine learning modeling, chemoinformatics and molecular dynamics simulation based analysis.

Scientific reports Nov 23, 2020
COVID-19 caused by the SARS-CoV-2 is a current global challenge and urgent discovery of potential drugs to combat this pandemic is a need of the hour. 3-chymotrypsin-like cysteine protease (3CLpro) enzyme is the vital molecular target against the SAR...
Coronavirus 3C Proteases Infectious bronchitis virus SARS-CoV-2 Molecular Docking Simulation HIV-1 Humans Deep Learning COVID-19 Drug Treatment Antiviral Agents COVID-19 Anti-HIV Agents Protease Inhibitors Drug Repositioning Cheminformatics Molecular Dynamics Simulation Drug Evaluation, Preclinical
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Drug Resistance Prediction Using Deep Learning Techniques on HIV-1 Sequence Data.

Viruses May 19, 2020
The fast replication rate and lack of repair mechanisms of human immunodeficiency virus (HIV) contribute to its high mutation frequency, with some mutations resulting in the evolution of resistance to antiretroviral therapies (ART). As such, studying...
Phylogeny Deep Learning HIV Infections Genotype Humans Neural Networks, Computer HIV-1 Drug Resistance, Viral Databases, Genetic Mutation Anti-Retroviral Agents
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Characterization of low level viraemia in HIV-infected patients receiving boosted protease inhibitor-based antiretroviral regimens.

HIV research & clinical practice Jan 30, 2020
To understand the pathogenesis of low level viraemia (LLV) in HIV-infected patients on boosted protease inhibitors (PI/b), we enrolled 34 subjects with a median HIV-RNA 79 copies/mL and followed them for 15 months. Samples for next generation sequenc...
HIV Protease HIV Protease Inhibitors Mutation gag Gene Products, Human Immunodeficiency Virus Viremia Anti-Retroviral Agents Antiretroviral Therapy, Highly Active HIV-1 High-Throughput Nucleotide Sequencing United Kingdom Drug Resistance, Multiple, Viral Male Humans Middle Aged Female HIV Infections Adult Viral Load
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Characterizing Protein-Ligand Binding Using Atomistic Simulation and Machine Learning: Application to Drug Resistance in HIV-1 Protease.

Journal of chemical theory and computation Jan 16, 2020
Over the past several decades, atomistic simulations of biomolecules, whether carried out using molecular dynamics or Monte Carlo techniques, have provided detailed insights into their function. Comparing the results of such simulations for a few clo...
Drug Resistance, Viral HIV Protease HIV Protease Inhibitors Hydrogen Bonding Mutation Molecular Dynamics Simulation HIV-1 Ligands Static Electricity Monte Carlo Method Humans Machine Learning Protein Binding
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Accurate Prediction for Antibody Resistance of Clinical HIV-1 Isolates.

Scientific reports Oct 11, 2019
Broadly neutralizing antibodies (bNAbs) targeting the HIV-1 envelope glycoprotein (Env) have promising utility in prevention and treatment of HIV-1 infection, and several are currently undergoing clinical trials. Due to the high sequence diversity an...
Binding Sites, Antibody Broadly Neutralizing Antibodies Immunoglobulin Idiotypes Neutralization Tests env Gene Products, Human Immunodeficiency Virus Data Accuracy Drug Resistance, Viral Humans HIV Antibodies Computer Simulation Epitope Mapping Prognosis Deep Learning HIV Infections HIV-1
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Target-Specific Prediction of Ligand Affinity with Structure-Based Interaction Fingerprints.

Journal of chemical information and modeling Aug 19, 2019
Discovery and optimization of small molecule inhibitors as therapeutic drugs have immensely benefited from rational structure-based drug design. With recent advances in high-resolution structure determination, computational power, and machine learnin...
Protein Binding HIV-1 Ligands HIV Protease HIV Protease Inhibitors Molecular Docking Simulation Drug Design Drug Discovery HIV Infections Humans Machine Learning
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Targeting HIV/HCV Coinfection Using a Machine Learning-Based Multiple Quantitative Structure-Activity Relationships (Multiple QSAR) Method.

International journal of molecular sciences Jul 22, 2019
Human immunodeficiency virus type-1 and hepatitis C virus (HIV/HCV) coinfection occurs when a patient is simultaneously infected with both human immunodeficiency virus type-1 (HIV-1) and hepatitis C virus (HCV), which is common today in certain popul...
Models, Molecular Molecular Structure Bayes Theorem Hepacivirus Hepatitis C HIV-1 Molecular Conformation Quantitative Structure-Activity Relationship HIV Infections Anti-HIV Agents Antiviral Agents Protein Binding Machine Learning Humans Algorithms Drug Discovery Databases, Pharmaceutical Polypharmacology
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A Ligand-Based Virtual Screening Method Using Direct Quantification of Generalization Ability.

Molecules (Basel, Switzerland) Jun 30, 2019
Machine learning plays an important role in ligand-based virtual screening. However, conventional machine learning approaches tend to be inefficient when dealing with such problems where the data are imbalanced and features describing the chemical ch...
HIV-1 Ligands HIV Integrase Machine Learning Computer Simulation Models, Chemical
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An open-source k-mer based machine learning tool for fast and accurate subtyping of HIV-1 genomes.

PloS one Nov 14, 2018
For many disease-causing virus species, global diversity is clustered into a taxonomy of subtypes with clinical significance. In particular, the classification of infections among the subtypes of human immunodeficiency virus type 1 (HIV-1) is a routi...
Software Time Factors Genomics HIV-1 Genome, Viral Machine Learning
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