Fig. 7. Paliperidone maintained the inactive conformation of the catalytically active region of MALT1. Black circle represents the catalytically active region. MALT1 was shown by vacuum electrostatics potential. (A) The catalytically active site region is open in active state, (B) and is closed in inactive state. Superimposition of MALT1 in active state (green) with in inactive state (cyan). The distances of C464–Q494 (C), R465–Q494 (D) and L446–L480 (E) were displayed in yellow dotted lines. (F) The distance of C464–Q494, R465–Q494 and L446–L480 in MALT1–paliperidone complex during the 100 ns MD simulations.