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Matrix Metalloproteinase 2 (MMP2) Inhibition: QM/MM Studies of the Inhibition Mechanism of SB-3CT and its Analog

The inhibition mechanism of matrix metalloproteinase 2 (MMP2) by the selective inhibitor (4-phenoxyphenylsulfonyl)methylthiirane (SB-3CT) and its oxirane analog are investigated computationally. The inhibition mechanism involves C-H deprotonation with concomitant opening of the three-membered hetero...

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Detalhes bibliográficos
Main Authors: Tao, Peng, Fisher, Jed F., Shi, Qicun, Vreven, Thom, Mobashery, Shahriar, Schlegel, H. Bernhard
Formato: Artigo
Idioma:Inglês
Publicado em: 2009
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2818682/
https://ncbi.nlm.nih.gov/pubmed/19754151
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/bi901118r
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