AIMC Topic: Anti-HIV Agents

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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...
Drug Repositioning Humans Cheminformatics Molecular Dynamics Simulation COVID-19 SARS-CoV-2 Coronavirus 3C Proteases Drug Evaluation, Preclinical Deep Learning Infectious bronchitis virus Molecular Docking Simulation HIV-1 Anti-HIV Agents Antiviral Agents COVID-19 Drug Treatment Protease Inhibitors
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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...
Antiretroviral Therapy, Highly Active Assessment of Medication Adherence Male HIV Infections Viral Load Algorithms Treatment Outcome Anti-HIV Agents Retrospective Studies Switzerland Cohort Studies Female CD4 Lymphocyte Count Humans Adult Medication Adherence 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...
Cohort Studies Monocytes Sulfoxides Male Humans CCR5 Receptor Antagonists Inflammation Middle Aged Receptors, CCR2 Macrophages Imidazoles HIV Infections Biomarkers Anti-HIV Agents Female
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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...
Machine Learning Anti-Bacterial Agents Molecular Docking Simulation Drug Design Antineoplastic Agents Humans Proteins Structure-Activity Relationship Molecular Dynamics Simulation Ligands Binding Sites Anti-HIV Agents Protein Binding Computational Biology Neuroprotective Agents Thermodynamics Drugs, Investigational
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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...
Excipients Hardness Tests Zidovudine Anti-HIV Agents Expert Systems Drug Compounding Drug Industry Tablets Powders
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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 Hepacivirus Hepatitis C HIV-1 Molecular Conformation Humans Protein Binding Machine Learning Models, Molecular Molecular Structure HIV Infections Algorithms Bayes Theorem Anti-HIV Agents Drug Discovery Antiviral Agents
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Multiple Machine Learning Comparisons of HIV Cell-based and Reverse Transcriptase Data Sets.

Molecular pharmaceutics Feb 26, 2019
The human immunodeficiency virus (HIV) causes over a million deaths every year and has a huge economic impact in many countries. The first class of drugs approved were nucleoside reverse transcriptase inhibitors. A newer generation of reverse transcr...
Humans Neural Networks, Computer Reverse Transcriptase Inhibitors Anti-HIV Agents HIV Reverse Transcriptase Machine Learning Support Vector Machine Databases, Factual Decision Trees Drug Discovery Bayes Theorem HIV Infections HIV
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Using artificial neural network and multivariate calibration methods for simultaneous spectrophotometric analysis of Emtricitabine and Tenofovir alafenamide fumarate in pharmaceutical formulation of HIV drug.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Feb 23, 2019
Spectrophotometric analysis method based on artificial neural network (ANN), partial least squares regression (PLS) and principal component regression (PCR) models was proposed for the simultaneous determination of Emtricitabine (ETB) and Tenofovir a...
Tenofovir Emtricitabine Calibration Multivariate Analysis Alanine Spectrophotometry, Ultraviolet Adenine Neural Networks, Computer Anti-HIV Agents Least-Squares Analysis
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A comparative study of logistic regression based machine learning techniques for prediction of early virological suppression in antiretroviral initiating HIV patients.

BMC medical informatics and decision making Sep 4, 2018
BACKGROUND: Treatment with effective antiretroviral therapy (ART) lowers morbidity and mortality among HIV positive individuals. Effective highly active antiretroviral therapy (HAART) should lead to undetectable viral load within 6 months of initiati...
Antiretroviral Therapy, Highly Active Logistic Models Treatment Outcome Predictive Value of Tests Male CD4 Lymphocyte Count HIV Infections Humans Viral Load Anti-HIV Agents Cohort Studies Machine Learning Female Adult
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Depression and alcohol use disorder at antiretroviral therapy initiation led to disengagement from care in South Africa.

PloS one Dec 27, 2017
We sought to assess mental health at the time of antiretroviral therapy (ART) initiation and subsequent retention in care over a six-month follow-up period. A total of 136 people living with HIV in South Africa were administered surveys measuring dem...
Anti-HIV Agents South Africa Patient Compliance Alcoholism Humans Adult Female Male Depression HIV Infections
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