Identification and optimization of TDP1 inhibitors from anthraquinone and chalcone derivatives: consensus scoring virtual screening and molecular simulations
Virtual screening aims to identify and rank compounds with drug/lead-like properties based on their affinity for the protein target. We developed a methodology that integrates structure- and ligand-based screening approaches to enhance hit rates against the TDP1 protein within a database of anthraqu...
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| Main Authors: | , , , , , , |
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| Format: | Article |
| Published: |
Taylor and Francis Group
2023
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| Subjects: | |
| Online Access: | http://eprints.sunway.edu.my/2860/ https://doi.org/10.1080/07391102.2023.2256870 |
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