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. Author manuscript; available in PMC: 2013 Mar 21.
Published in final edited form as: J Chem Theory Comput. 2012 Sep 27;8(12):5035–5051. doi: 10.1021/ct3006248

Fig. 18.

Fig. 18

Inhibition mechanism of MMP2 by its inhibitor SB-3CT is coupled deprotonation of the methylene group juxtaposed between the sulfone and the thiirane and the opening of the thiirane ring.