AIMC Topic: 3',5'-Cyclic-AMP Phosphodiesterases

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In silico-driven protocol for hit-to-lead optimization: a case study on PDE9A inhibitors.

Journal of computer-aided molecular design Dec 19, 2025
Hit-to-lead (H2L) optimization is a critical stage in small-molecule drug discovery, where efficient exploration of chemical space is required to identify promising lead compounds. Conventional H2L workflows rely on iterative synthesis and experiment...
Humans Machine Learning Computer Simulation Molecular Docking Simulation Drug Design Drug Discovery Protein Binding Structure-Activity Relationship Thermodynamics Small Molecule Libraries Phosphodiesterase Inhibitors 3',5'-Cyclic-AMP Phosphodiesterases
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Combining bioinformatics and machine learning to identify diagnostic biomarkers of TB associated with immune cell infiltration.

Tuberculosis (Edinburgh, Scotland) Oct 11, 2024
OBJECTIVE: The asymptomatic nature of tuberculosis (TB) during its latent phase, combined with limitations in current diagnostic methods, makes accurate diagnosis challenging. This study aims to identify TB diagnostic biomarkers by integrating gene e...
Humans Machine Learning Biomarkers Gene Expression Profiling Transcriptome Computational Biology Databases, Genetic Adaptor Proteins, Signal Transducing Predictive Value of Tests Tuberculosis 3',5'-Cyclic-AMP Phosphodiesterases
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