Understanding the selectivity of nonsteroidal anti-inflammatory drugs for cyclooxygenases using quantum crystallography and electrostatic interaction energy

Pawlędzio, S.; Ziemniak, M.; Wang, X.; Woźniak, K.; Malinska, M.

doi:10.1107/S2052252525000053

Figure 9
Changes in the Phe18 orientation in COX-1 (purple) and COX-2 (beige). The distance between MXM and Phe518 is longer in COX-1. Contact distances are shown in Å.

IUCrJ

Volume 12| Part 2| March 2025|

ISSN: 2052-2525

https://doi.org/10.1107/S2052252525000053

BIOLOGY | MEDICINE

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