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2017;45:D48290

doi: 10.3389/fendo.2019.00247 Received 18 December 2018 Accepted 29 March 2019 Published 16 April 2019 Volume 10 - 2019 Edited by John Bienenstock, McMaster University, Canada Reviewed by Arturo Ortega, Centro de Investigacin y de Estudios Avanzados (CINVESTAV), Mexico

This observation supports the hypothesis that dioxygen molecules can enter the enzymes active site from two different directionsboth through the putative oxygen channel and the substrate entrance

During molecular docking procedure, Coulombic interactions, freezing of rotatable bonds, hydrophobic contacts, intermolecular hydrogen bonds, metal bond formations, polar contacts, the penalty for buried polar groups, van der Waals interactions, solvent (water) desolvation energy, and binding affinity elevating intermolecular contacts formation were allowed in the XP docking scoring protocol 47,48