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- research-articleNovember 2024
4D-QSAR, ADMET properties, and molecular dynamics simulations for designing N-substituted urea/thioureas as human glutaminyl cyclase inhibitors
Computational Biology and Chemistry (COBC), Volume 112, Issue Chttps://doi.org/10.1016/j.compbiolchem.2024.108131AbstractHuman glutaminyl cyclase (hQC) inhibitors have great potential to be used as anti- Alzheimer's disease (AD) agents by reducing the toxic pyroform of β-amyloid in the brains of AD patients. The four-dimensional quantitative structure activity ...
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Highlights- Established a 4D-QSAR model for N-substituted urea/thioureas with good predictive ability.
- Designed and evaluated new N-substituted urea/thioureas as potential hQC inhibitors.
- Confirmed stability and interaction patterns with hQC ...
- research-articleOctober 2008
- doctoral_thesisJanuary 2006
Using expressed sequence tags to improve gene structure annotation
Finding all gene structures is a crucial step in obtaining valuable information from genomic sequences. It is still a challenging problem, especially for vertebrate genomes, such as the human genome. Expressed Sequence Tags (ESTs) provide a tremendous ...