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Role of water in cyclooxygenase catalysis and design of anti-inflammatory agents targeting two sites of the enzyme
While designing the anti-inflammatory agents targeting cyclooxygenase-2 (COX-2), we first identified a water loop around the heme playing critical role in the enzyme catalysis. The results of molecular dynamic studies supported by the strong hydrogen-bonding equilibria of the participating atoms, ra...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7329864/ https://www.ncbi.nlm.nih.gov/pubmed/32612190 http://dx.doi.org/10.1038/s41598-020-67655-6 |