IJSRSET1731114 | Received: 22 Feb-2017 | Accepted: 08 Mar-2017 | March-April-2017 [(2)2: 39-45] © 2017 IJSRSET | Volume 3 | Issue 2 | Print ISSN: 2395-1990 | Online ISSN : 2394-4099 Themed Section: Engineering and Technology 39 Potential Natural Inhibitor Bioactivities against High-Risk HPV-16, HPV-18 and HPV-52 of E6 Oncoprotein through Molecular Docking Vivitri D. Prasasty*, Ignatia Eveline, Ekaristy J. Noya Faculty of Biotechnology, Atma Jaya Catholic University of Indonesia, Indonesia *vivitri.dewi@atmajaya.ac.id ABSTRACT Human papillomavirus (HPV) is known as the main cause of cervical cancer. Most sexually active women might be high risk infected by HPV. In Indonesia, HPV-16 and HPV-18 types are equally common in the general population associated with cervical cancer. HPV-52 is the most prevalent type in the general population worldwide. Some natural products have been identified as promising sources as inhibitor agents for treatment and prevention of cancers in recent years. Indonesia is abundant of original plants with bioactive compounds that play role as anticancer, such as red fruit, turmeric, god's crown, ground cherry and white turmeric. The aim of this research is to structure-based screen the interaction between protein E6 from HPV-16, HPV-18 and HPV-52 strains with natural compounds through molecular docking. Out of five natural compounds that we studied, we found the highest binding energy to interact with E6 HPV-16 is daphnoretin (-7.8 kcal/mol), HPV-18 and 52 is β-cryptoxanthin -7.8 kcal/mol and -8.4 kcal/mol. Molecular docking simulations provide a platform for capturing the structures, motions, and interactions of biological macromolecules in full atomic details. The accuracy of such simulations, however, is critically dependent on the force field—the mathematical model used to approximate the atomic-level forces acting on the simulated molecular system. The results show that the profile of E6 oncoprotein from HPV-18 and HPV-52 strains were stable, while HPV-16 strain was not stable due to the differences in the ligand interactions. Keywords: High Risk HPV, E6 Oncoprotein, Natural Inhibitors, Molecular Docking I. INTRODUCTION Cervical cancer is known as the seventh global frequency, however it is ranked as the second highest cancer worldwide among women after breast cancer and it is the leading cause of high mortality in developing countries [1]. Widely spread of cervical cancer threat becomes major public health issue in women all over the world, especially in developing country including Indonesia [2]. The data from thirteen pathology centers in Indonesia shows that cervical cancer leads the first-ranked among all cancer (31% from 10 most common cancers among women) [3]. Data from several academic hospitals in 2007 showed that cervical cancer is the most common gynecologic malignancy followed by cancers of the ovary, uterus, vulva, and vagina, respectively [4]. In a small group of women, the virus survives for years before it eventually converts some cells on the surface of the cervix into cancer cells. In the majority of cases, the infection does not cause any symptoms, but in some women, HPV infection shows progression in the development of cervical intraepithelial neoplasia, which can lead precancerous and cancerous lesions of the uterine cervix [5]. HPV has two types related to its risk, first type called low-risk HPV and the second called high-risk HPV. Low-risk HPVs only cause the genital warts, whereas high-risk HPVs cause lead to abnormal cell changes moreover cause genital cancers: cervical cancer as well as cancer of the vulva, and anus [6]. Based on mainly unscreened women population in Indonesia, it has been found that intermediate overall