AIMC Topic: HIV Protease

Clear Filters Showing 11 to 17 of 17 articles

Prediction of HIV-1 protease cleavage site using a combination of sequence, structural, and physicochemical features.

BMC bioinformatics Dec 23, 2016
BACKGROUND: The human immunodeficiency virus type 1 (HIV-1) aspartic protease is an important enzyme owing to its imperative part in viral development and a causative agent of deadliest disease known as acquired immune deficiency syndrome (AIDS). Dev...
Decision Trees Amino Acid Sequence Protein Conformation Data Accuracy Algorithms Substrate Specificity HIV Protease HIV Infections HIV-1 Humans Computational Biology Neural Networks, Computer
View on PubMed DOI

Use of Dried Plasma Spots for HIV-1 Viral Load Determination and Drug Resistance Genotyping in Mexican Patients.

BioMed research international Dec 8, 2015
Monitoring antiretroviral therapy using measurements of viral load (VL) and the genotyping of resistance mutations is not routinely performed in low- to middle-income countries because of the high costs of the commercial assays that are used. The ana...
Adult Male HIV Infections Viral Load Phylogeny Humans Female Mutation Drug Resistance, Viral RNA, Viral HIV Protease HIV Reverse Transcriptase HIV-1 Genotype pol Gene Products, Human Immunodeficiency Virus Dried Blood Spot Testing Mexico
View on PubMed DOI

Multistage virtual screening and identification of novel HIV-1 protease inhibitors by integrating SVM, shape, pharmacophore and docking methods.

European journal of medicinal chemistry Jul 6, 2015
The HIV-1 protease has proven to be a crucial component of the HIV replication machinery and a reliable target for anti-HIV drug discovery. In this study, we applied an optimized hierarchical multistage virtual screening method targeting HIV-1 protea...
Molecular Docking Simulation Support Vector Machine Dose-Response Relationship, Drug Drug Evaluation, Preclinical HIV Protease HIV Protease Inhibitors Structure-Activity Relationship Molecular Structure
View on PubMed DOI

A comparative study of family-specific protein-ligand complex affinity prediction based on random forest approach.

Journal of computer-aided molecular design Dec 20, 2014
The assessment of binding affinity between ligands and the target proteins plays an essential role in drug discovery and design process. As an alternative to widely used scoring approaches, machine learning methods have also been proposed for fast pr...
Trypsin Carbonic Anhydrases Proteins Databases, Protein Ligands HIV Protease Models, Biological Computer-Aided Design Drug Design Protein Binding Humans Artificial Intelligence
View on PubMed DOI

Machine Learning to Predict Binding Affinity.

Methods in molecular biology (Clifton, N.J.) Jan 1, 2019
Recent progress in the development of scientific libraries with machine-learning techniques paved the way for the implementation of integrated computational tools to predict ligand-binding affinity. The prediction of binding affinity uses the atomic ...
Proteins Databases, Protein Molecular Dynamics Simulation Molecular Docking Simulation Models, Statistical HIV Protease Web Browser Cyclin-Dependent Kinase 2 Supervised Machine Learning Ligands Humans Software Machine Learning Algorithms
View on PubMed DOI

Optimized Virtual Screening Workflow: Towards Target-Based Polynomial Scoring Functions for HIV-1 Protease.

Combinatorial chemistry & high throughput screening Jan 1, 2017
BACKGROUND: One key step in the development of inhibitors for an enzyme is the application of computational methodologies to predict protein-ligand interactions. The abundance of structural and ligand-binding information for HIV-1 protease opens up t...
HIV Protease Inhibitors Drug Evaluation, Preclinical Machine Learning Ligands Molecular Docking Simulation HIV Protease
View on PubMed DOI

Tackling the problem of HIV drug resistance.

Postepy biochemii Jan 1, 2016
The virally-encoded HIV-1 protease is an effective target for antiviral drugs, however, treatment for HIV infections is limited by the prevalence of drug resistant viral mutants. In this review, we describe our three-pronged approach to analyze and c...
Crystallography, X-Ray Drug Resistance, Viral HIV Protease Humans Computational Biology Machine Learning Drug Discovery HIV Infections Structure-Activity Relationship Anti-HIV Agents HIV-1
View on PubMed
Popular Topics
Recent Journals