دورية أكاديمية
Fragment-Based Design of Mycobacterium tuberculosis InhA Inhibitors.
| العنوان: | Fragment-Based Design of Mycobacterium tuberculosis InhA Inhibitors. |
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| المؤلفون: | Sabbah, Mohamad, Mendes, Vitor, Vistal, Robert G, Dias, David MG, Záhorszká, Monika, Mikušová, Katarína, Korduláková, Jana, Coyne, Anthony G, Blundell, Tom L, Abell, Chris |
| بيانات النشر: | American Chemical Society (ACS) //dx.doi.org/10.1021/acs.jmedchem.0c00007 J Med Chem |
| سنة النشر: | 2020 |
| المجموعة: | Apollo - University of Cambridge Repository |
| مصطلحات موضوعية: | Antitubercular Agents, Bacterial Proteins, Binding Sites, Drug Design, Enzyme Assays, Enzyme Inhibitors, Molecular Docking Simulation, Molecular Structure, Mycobacterium tuberculosis, Oxidoreductases, Protein Binding, Small Molecule Libraries, Structure-Activity Relationship, Sulfonamides |
| الوصف: | Tuberculosis (TB) remains a leading cause of mortality among infectious diseases worldwide. InhA has been the focus of numerous drug discovery efforts as this is the target of the first line pro-drug isoniazid. However, with resistance to this drug becoming more common, the aim has been to find new clinical candidates that directly inhibit this enzyme and that do not require activation by the catalase peroxidase KatG, thus circumventing the majority of the resistance mechanisms. In this work, the screening and validation of a fragment library are described, and the development of the fragment hits using a fragment growing strategy was employed, which led to the development of InhA inhibitors with affinities of up to 250 nM. |
| نوع الوثيقة: | article in journal/newspaper |
| وصف الملف: | Print-Electronic; application/pdf |
| اللغة: | English |
| العلاقة: | https://www.repository.cam.ac.uk/handle/1810/304143Test |
| DOI: | 10.17863/CAM.51228 |
| الإتاحة: | https://doi.org/10.17863/CAM.51228Test https://www.repository.cam.ac.uk/handle/1810/304143Test |
| حقوق: | All rights reserved |
| رقم الانضمام: | edsbas.A8FCD0B7 |
| قاعدة البيانات: | BASE |
| DOI: | 10.17863/CAM.51228 |
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