With a goal of unveiling mechanisms by which vaccines can provide protection against HIV-1 acquisition, several studies have explored correlates of risk of HIV-1 acquisition in HVTN 505, which was a phase IIb trial conducted to assess the safety and ...
Journal of the American Chemical Society
Nov 23, 2025
The HIV-1 envelope glycoprotein (Env) trimer (gp120/gp41) forms the key functional envelope spike and is the target of neutralizing antibodies. The glycoprotein gp41 component mediates the fusion of viral and host cell membranes. The membrane-interac...
Journal of chemical information and modeling
Sep 25, 2025
The rapid emergence of drug resistance in viral infections represents a significant global health challenge, threatening the efficacy of treatments for multiple diseases. Machine learning models have emerged as valuable tools for predicting antiviral...
Journal of chemical information and modeling
Jan 14, 2025
The rise of resistance to antiretroviral drugs due to mutations in human immunodeficiency virus-1 (HIV-1) protease is a major obstacle to effective treatment. These mutations alter the drug-binding pocket of the protease and reduce the drug efficacy ...
Computerized medical imaging and graphics : the official journal of the Computerized Medical Imaging Society
Jan 10, 2025
Predicting the outcome of antiretroviral therapies (ART) for HIV-1 is a pressing clinical challenge, especially when the ART includes drugs with limited effectiveness data. This scarcity of data can arise either due to the introduction of a new drug ...
The ability to predict HIV-1 resistance to broadly neutralizing antibodies (bnAbs) will increase bnAb therapeutic benefits. Machine learning is a powerful approach for such prediction. One challenge is that some HIV-1 subtypes in currently available ...
To develop a model for predicting the biological activity of compounds targeting the HIV-1 protease and to establish factors influencing enzyme inhibition. Machine learning models were built based on a combination of Richard Bader's theory of Atoms ...
The secondary metabolites of seawater and freshwater blue-green algae are a rich natural product pool containing diverse compounds with various functions, including antiviral compounds; however, high-efficiency methods to screen such compounds are la...
Graph neural networks (GNN) offer an alternative approach to boost the screening effectiveness in drug discovery. However, their efficacy is often hindered by limited datasets. To address this limitation, we introduced a robust GNN training framework...
Traditionally, the classification of HIV-1 M group subtypes has depended on statistical methods constrained by sample sizes. Here HIV-1-M-SPBEnv was proposed as the first deep learning-based method for classifying HIV-1 M group subtypes via env gene ...
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