Author/Authors :
Tambunan, Usman Sumo Friend Bioinformatics Research Group, Department of Chemistry - Faculty of Mathematics and Natural Science - Universitas Indonesia, Indonesia , Parikesit, Arli Aditya Bioinformatics Research Group, Department of Chemistry - Faculty of Mathematics and Natural Science - Universitas Indonesia, Indonesia , Arfin Fardiansyah Nasution, Mochammad Bioinformatics Research Group, Department of Chemistry - Faculty of Mathematics and Natural Science - Universitas Indonesia, Indonesia , Hapsari, Amalia Bioinformatics Research Group, Department of Chemistry - Faculty of Mathematics and Natural Science - Universitas Indonesia, Indonesia , Kerami, Djati Mathematics Computation Research Group - Department of Mathematics - Faculty of Mathematics and Natural Science - Universitas Indonesia, Indonesia
Abstract :
The menace of cervical cancer has reached an alarming rate. There are more than 450.000
cases of cervical cancer yearly, with mortality rate of about 50%. This deadly cancer is caused
by human papillomavirus (HPV), mainly subtypes 16 and 18. The pharmaceutical industry
has produced drug for combating the virus, known as SAHA (suberoylanilide hydroxamic
acid). It inhibits class II HDAC Homo sapiens (HDACi). The utilization of SAHA has some
side effects, one of which is bone loss. Thus, searching for viable alternatives aside SAHA is
inevitable. The objective of this research is to investigate the molecular interaction of selected
Indonesian natural products with class II HDAC Homo sapiens. LigX tool in MOE 2008.10
was used as an instrument to investigate the molecular interaction. Then, computer-aided drug
discovery and development (CADDD) approach involving molecular docking and dynamics
methods was utilized to screen the natural products library. In the end, we found that herbaric
acid could act as a potential drug candidate for cervical cancer.
Keywords :
Herbaric acid , CADDD approach , HDACi , HDAC , Indonesian natural products , Human papillomavirus (HPV) , Cervical cancer
