Role of water in cyclooxygenase catalysis and design of anti-inflammatory agents targeting two sites of the enzyme

Abstract 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...

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Autores principales: Manpreet Kaur, Baljit Kaur, Jagroop Kaur, Anudeep Kaur, Rajbir Bhatti, Palwinder Singh
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2020
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Acceso en línea:https://doaj.org/article/741d255a0b0a40c2b88d2e739a8db794
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