Use of Crystallography and Molecular Modeling for the Inhibition of the Botulinum Neurotoxin A Protease
Keyword(s):
We have used crystal structures and molecular modeling to evaluate inhibitor binding modes and design a series of compounds to take advantage of a new, cryptic, hydrophobic sub-pocket. This is a classical SBDD approach to improving enzyme/inhibitor interactions.
Keyword(s):
2020 ◽
Vol 20
(11)
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pp. 1017-1030
2020 ◽
Vol 18
(16)
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pp. 3069-3081
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Keyword(s):
2007 ◽
Vol 12
(3)
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pp. 370-377
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