Abstract:To analyze the structural features that dictate the selectivity of the two isoforms of the cyclooxygenase (COX), the three-dimensional structure of COX-1/COX-2 was assessed by means of binding energy calculation by way of virtual molecular dynamic simulations using ligand sesquiterpenoid Pogostemon herba. This study was conducted to investigate the molecular interaction between ligand alphabulnesene (CID94275), alpha-guaiene (CID197152), seychellene (CID519743), and alpha-patchouli alcohol isomers (CID442384, … Show more
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