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Loveman\u27s Village
No full textStudent project completed for PSC 129 Urban Politicshttps://digitalcommons.library.uab.edu/political-science/1002/thumbnail.jp
Prioritizing neuroactive ligands using motif-guided docking and zebrafish profiling
No full textVirtual screening of ultra-large chemical libraries is a highly effective strategy for early-stage drug discovery. However, these pipelines often yield thousands of molecules that pass computational filters, and in silico-derived interaction energies do not consistently predict experimental efficacy. Furthermore, high-affinity hits do not necessarily function effectively in an organism with tissues, barriers, and extensive off-target possibilities. Thus, a major hurdle in drug discovery is the prioritization of top candidates for rodent testing, which is effortful and costly. Here, we introduce Rosetta Engine for Anchoring Ligands with a Motif (“REAL-M”), a novel computational screening algorithm that uses structural interaction data from the Protein Data Bank (PDB) to guide ligand placement and selection. Using the hypocretin receptor as a test case for this computational pipeline, 28 of 30 predicted antagonists significantly blocked binding of the cognate peptide agonist in a PRESTO-Tango cell-based reporter assay, including six chemically diverse molecules with comparable efficacy to commercial antagonists. Three molecules significantly mitigated hypocretin-induced larval zebrafish hyperactivity. Secondary testing with a zebrafish hcrtr2 null mutant ensured that behavioral phenotypes were not due to off-target interactions, which we did observe with the FDA-approved drug suvorexant. This pipeline is readily adaptable to the thousands of zebrafish proteins with highly conserved binding pockets
So you want to start an institutional repository: What do you need to know?
Full text linkIf you\u27re interested in starting an Institutional Repository at your school, this webinar is for you. It will cover key topics such as selecting an Institutional Repository program and the important factors to consider when making your choice. Additionally, the webinar will explore non-traditional ways to populate your repository and strategies for attracting users. You\u27ll also learn about the copyright rules related to your faculty\u27s scholarship, ensuring you\u27re fully informed before launching your repository.https://digitalcommons.library.uab.edu/osc/1006/thumbnail.jp
Introducing the UAB Data Catalog
Full text linkLearn about the new data catalog developed by UAB libraries. This innovative resource makes it easier than ever to find and use research data by UAB investigators. In this webinar, we will review how the catalog was designed to promote data discoverability and responsible data reuse. Don’t miss this session to learn how to use the data catalog to both find data and to submit your own records. We will also cover how the data catalog can be incorporated into data management plans for grant proposals.
This session is sponsored by the UAB Libraries Office of Scholarly Communication as part of their 2025 Spring Seminar Series.https://digitalcommons.library.uab.edu/osc/1000/thumbnail.jp