Issues

ABOUT THE COVER
The cover illustrates the binding mode of ibrutinib with homology modeled ABCB1 predicted by XP-Glide. The docked conformation of ibrutinib as ball and stick model is shown within the large hydrophobic cavity of ABCB1. Important amino acids are depicted as sticks with the carbon atoms colored in green, hydrogen in white, nitrogen in blue, oxygen in red and sulfur in yellow, whereas ibrutinib is shown with the same color scheme as above except carbon atoms are represented in orange. Dotted black line indicates hydrogen-bonding interactions. Molecular surface of homology modeled ABCB1 was colored in yellow which indicated the hydrophobic nature of ibrutinib-binding pocket.