AIMC Topic: Anti-HIV Agents

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Long-term safety and efficacy of rilpivirine in combination with nucleoside/nucleotide reverse transcriptase inhibitors in HIV-1 infected patients: 336-week rollover study of phase 2b and 3 clinical studies.

Antiviral therapy Nov 26, 2021
BACKGROUND: To evaluate the long-term safety and efficacy of rilpivirine (RPV), a non-nucleoside reverse transcriptase inhibitor (NNRTI), in combination with nucleoside/nucleotide reverse transcriptase inhibitors (NRTIs) in human immunodeficiency vir...
HIV-1 Humans Nucleotides Reverse Transcriptase Inhibitors HIV Infections Anti-HIV Agents Rilpivirine Nucleosides
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Using machine learning and big data to explore the drug resistance landscape in HIV.

PLoS computational biology Aug 26, 2021
Drug resistance mutations (DRMs) appear in HIV under treatment pressure. DRMs are commonly transmitted to naive patients. The standard approach to reveal new DRMs is to test for significant frequency differences of mutations between treated and naive...
Computational Biology Logistic Models Models, Genetic Databases, Genetic Decision Trees Africa Big Data HIV Infections Anti-HIV Agents Drug Resistance, Viral United Kingdom Epistasis, Genetic HIV Reverse Transcriptase Genes, Viral Humans Bayes Theorem Mutation Supervised Machine Learning HIV-1
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Predicting HIV drug resistance using weighted machine learning method at target protein sequence-level.

Molecular diversity Jul 9, 2021
Acquired immune deficiency syndrome (AIDS) is a fatal disease caused by human immunodeficiency virus (HIV). Although 23 different drugs have been available, the treatment of AIDS remains challenging because the virus mutates very quickly which can le...
Algorithms Drug Resistance, Viral Humans Models, Theoretical HIV Viral Proteins Databases, Factual Machine Learning Support Vector Machine Amino Acid Sequence Reproducibility of Results Dose-Response Relationship, Drug Anti-HIV Agents Mutation
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Application of deep learning and molecular modeling to identify small drug-like compounds as potential HIV-1 entry inhibitors.

Journal of biomolecular structure & dynamics Apr 15, 2021
A generative adversarial autoencoder for the rational design of potential HIV-1 entry inhibitors able to block CD4-binding site of the viral envelope protein gp120 was developed. To do this, the following studies were carried out: (i) an autoencoder ...
Molecular Docking Simulation Deep Learning Anti-HIV Agents Molecular Dynamics Simulation HIV-1 HIV Envelope Protein gp120
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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...
Antiviral Agents Drug Repositioning Molecular Dynamics Simulation Drug Evaluation, Preclinical HIV-1 SARS-CoV-2 Molecular Docking Simulation Deep Learning Anti-HIV Agents Infectious bronchitis virus COVID-19 Drug Treatment Protease Inhibitors Cheminformatics Coronavirus 3C Proteases Humans COVID-19
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Random forest machine learning algorithm predicts virologic outcomes among HIV infected adults in Lausanne, Switzerland using electronically monitored combined antiretroviral treatment adherence.

AIDS care Apr 8, 2020
Machine Learning (ML) can improve the analysis of complex and interrelated factors that place adherent people at risk of viral rebound. Our aim was to build ML model to predict RNA viral rebound from medication adherence and clinical data. Patients w...
Cohort Studies Medication Adherence Treatment Outcome Switzerland Assessment of Medication Adherence CD4 Lymphocyte Count Antiretroviral Therapy, Highly Active Male HIV Infections Viral Load Anti-HIV Agents Algorithms Retrospective Studies Female Adult Humans Machine Learning
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Cenicriviroc, a dual CCR2 and CCR5 antagonist leads to a reduction in plasma fibrotic biomarkers in persons living with HIV on antiretroviral therapy.

HIV research & clinical practice Feb 4, 2020
Chronic HIV is associated with increased inflammation and tissue fibrosis despite suppressive antiretroviral therapy (ART). Monocytes and macrophages have been implicated in the pathogenesis of fibrosis, facilitated by chemokine receptor interaction...
Receptors, CCR2 Humans Macrophages Sulfoxides Biomarkers Female Monocytes HIV Infections Inflammation Anti-HIV Agents Male Imidazoles Cohort Studies Middle Aged CCR5 Receptor Antagonists
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Latest trends in structure based drug design with protein targets.

Advances in protein chemistry and structural biology Dec 18, 2019
Structure based drug designing is an important endeavor in the field of structural bioinformatics. Previously the entire process was dependent on the wet-lab experiments to build libraries of ligand molecules. And the molecules used to be tested to d...
Humans Proteins Structure-Activity Relationship Molecular Dynamics Simulation Antineoplastic Agents Ligands Drugs, Investigational Anti-HIV Agents Machine Learning Protein Binding Binding Sites Anti-Bacterial Agents Computational Biology Thermodynamics Molecular Docking Simulation Neuroprotective Agents Drug Design
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Formulation of Direct Compression Zidovudine Tablets to Correlate the SeDeM Diagram Expert System and the Rotary Press Simulator Styl'ONE Results.

AAPS PharmSciTech Nov 11, 2019
The SeDeM diagram expert system has been applied to study Zidovudine and some excipients. From the obtained diagrams, a pharmaceutical formula has been designed. SeDeM diagram ascertains the critical parameters that are suitable for a direct compress...
Tablets Powders Expert Systems Drug Compounding Hardness Tests Zidovudine Drug Industry Excipients Anti-HIV Agents
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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...
Quantitative Structure-Activity Relationship Databases, Pharmaceutical Polypharmacology Humans Hepacivirus Antiviral Agents Machine Learning Algorithms Protein Binding Hepatitis C Models, Molecular Drug Discovery HIV-1 Molecular Structure HIV Infections Molecular Conformation Anti-HIV Agents Bayes Theorem
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