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13 p, 8.3 MB Understanding the molecular mechanism of the Ala-versus-Gly concept controlling the pProduct specificity in reactions catalyzed by lipoxygenases : a combined molecular dynamics and QM/MM study of coral 8R-lipoxygenase / Saura Martínez, Patricia (Universitat Autònoma de Barcelona. Institut de Biotecnologia i de Biomedicina "Vicent Villar Palasí") ; Suardíaz, Reynier (King's College London. Department of Chemistry) ; Masgrau, Laura (Universitat Autònoma de Barcelona. Departament de Bioquímica i de Biologia Molecular) ; González-Lafont, Àngels (Universitat Autònoma de Barcelona. Institut de Biotecnologia i de Biomedicina "Vicent Villar Palasí") ; Rosta, Edina (King's College London. Department of Chemistry) ; Lluch López, Josep Maria (Universitat Autònoma de Barcelona. Departament de Química)
Lipoxygenases (LOXs) are a family of enzymes that catalyze the highly specific hydroperoxidation of polyunsaturated fatty acids, such as arachidonic acid. Different stereo- or/and regioisomer hydroperoxidation products lead later to different metabolites that exert opposite physiological effects in the animal body and play a central role in inflammatory processes. [...]
2017 - 10.1021/acscatal.7b00842
ACS catalysis, Vol. 7, issue 7 (July 2017) , p. 4854-4866  

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