“…Malonate-based compounds have aroused increasing attention because of their important pharmacological activities, such as decreased blood glucose ( Shinkai et al, 1998 ) anti-HIV ( Serafin et al, 2011 ) anticancer ( Xing et al, 2012 ) anti-inflammatory ( Kim et al, 2001 ) antioxidative ( Saranya et al, 2013 ) and antiviral ( Xiao et al, 2014 ) activities. Moreover, malonates are traditionally regarded as important materials for synthesizing the key intermediates of numerous active substances ( Wheeler, 1984 , Woo et al, 1989 , Ragoussis et al, 2004 , Brandau et al, 2006 ). The binding affinity and structure of protein-drug complexes play an important role in understanding the molecular mechanism in drug discovery.…”