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...

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Detalles Bibliográficos
Autores principales: Kaur, Manpreet, Kaur, Baljit, Kaur, Jagroop, Kaur, Anudeep, Bhatti, Rajbir, Singh, Palwinder
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2020
Materias:
Article
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

Internet

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

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