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2016 ; 3
(Pt 5
): 296-297
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Neutron crystallography aids in drug design
#MMPMID28461889
Blakeley MP
IUCrJ
2016[Sep]; 3
(Pt 5
): 296-297
PMID28461889
show ga
Since drugs bind to their targets through directional H bonding and
non-directional hydrophobic and electrostatic interactions, neutron
crystallography can help guide structure-based drug design. This is illustrated
by McKenna and co-workers [Aggarwal et al. (2016), IUCrJ, 3, 319-325] who
describe the room-temperature neutron structure of human carbonic anyhydrase II
in complex with the clinical inhibitor methazolamide to 2.2?Å resolution, and
compare this with the previously determined room-temperature neutron structure of
human carbonic anyhydrase II in complex with the clinical inhibitor acetazolamide
to 2.0?Å resolution [Fisher et al. (2012). J. Am. Chem. Soc.134, 14726-14729].