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Susana R. Pereira, Vítor M. Vasconcelos and Agostinho Antunes Computational study of the covalent bonding of microcystins to cysteine residues – a reaction involved in the inhibition of the PPP family of protein phosphatases FEBS Journal 280

Article first published online: 9 JAN 2012 | DOI: 10.1111/j.1742-4658.2011.08454.x

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Microcystins are cyanobacterial hepatotoxins that inhibit serine/threonine-specific protein phosphatases of the PPP family. This often involves covalent-bonding to a PPP cysteine residue. Here, the molecular interaction of microcystins with the targeted PPP enzymes is reviewed, including the relevance of the covalent bond for overall inhibition. Additionally, the formation of the covalent bond was evaluated in silico, using quantum mechanical-based methods.

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