  The influenza/H1N1 virus has caused hazard in the public health of many
countries. Hence, existing influenza drugs could not cope with H1N1 infection
due to the high mutation rate of the virus. In this respect, new method to
block the virus was devised. The polymerase PAC-PB1N enzyme is responsible for
the replication of H1N1 virus. Thus, novel inhibitors were developed to ward
off the functionality of the enzyme. In this research, cyclic peptides has been
chosen to inhibit PAC-PB1N due to its proven stability in reaching the drug
target. Thus, computational method for elucidating the molecular interaction
between cyclic peptides and PAC-PB1N has been developed by using the LigX tools
from MOE 2008.10 software. The tools could render the bindings that involved in
the interactions. The interactions between individual amino acid in the
inhibitor and enzyme could be seen as well. Thus, the peptide sequences of
CKTTC and CKKTC were chosen as the lead compounds. In this end, the feasibility
of cyclic peptides to act as drug candidate for H1N1 could be exposed by the 2d
and 3d modeling of the molecular interactions.
