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Matrix Metalloproteinase 2 (MMP2) Inhibition: DFT and QM/MM Studies of the Deprotonation Initialized Ring Opening Reaction of Sulfoxide Analogue of SB-3CT
(4-Phenoxyphenylsulfonyl)methylthiirane (SB-3CT) is the selective inhibitor of matrix metalloproteinase 2 (MMP2). The inhibition mechanism of MMP2 by SB-3CT involves C–H deprotonation with concomitant opening of the three-membered heterocycle. In this study, the energetics of the deprotonation-induc...
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| Main Authors: | , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2010
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2821710/ https://ncbi.nlm.nih.gov/pubmed/20039633 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp909327y |
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