Maulana Tegar, Hari Purnomo, Tea leaves extracted as anti-malaria based on moleculardocking PLANTS, Procedia Environmental Sciences , ISSN : 18780296, 17 ( 2013 ) 188 – 194
Penulis/Author
Dr. Drs. Hari Purnomo, M.S., Apt. (2)
Tanggal/Date
2013
Kata Kunci/Keyword
Abstrak/Abstract
synthetic drug with anti-malarial activity is selective inhibitor with lactate dehydrogenase mechanism. Inhibition of
glycolysis is needed for cell survival. Meanwhile, gallocatecin is kind of flavonoids contained in tea leaves extract
(Camellia sinensis). The aim of this study is to find natural compounds having potential as anti-malarial agents which
are more potential than mefloquine. Based on molecular docking, gallocatecin has more anti-malaria activity potent
than mefloquine.
Preparation starts with performing molecular docking with PLANTS. Ligand preparation is applied using
MarvinSketch by drawing gallocatecin compound and then optimize it. Protein preparation is applied by using
YASARA program. Removing docking protocol (including water if essential) is not required. After all of preparation
is completed, docking PLANTS is applied. Decrease in score indicates bond stability with protein.
Gallocatecin compound has an energy of (-95.396), smaller than mefloquine (-71,4036) to bind to 1CET. Thus, it can
be concluded that gallocatecin has antimicrobial activity which is more potential than mefloquine. Based on
computation, gallocatecin has strong binding to lactatedehydrogenase.
