Research Journal of Pharmacy and Technology

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In Silico Study of Natural Inhibitors for Human Papillomavirus-18 E6 Protein


Affiliations
1 Doctoral Program in Veterinary Science, Faculty of Veterinary Medicine, Universitas Airlangga, 60115, Surabaya,, Indonesia
2 Department of Biology, Faculty of Mathematics and Natural Sciences, Universitas Brawijaya, 65145, Malang,, Indonesia
3 Department of Chemistry, Faculty of Health Sciences, Muhammadiyah University of Surabaya, 60113, Surabaya,, Indonesia
4 School of Environmental Science and Management, University of the Philippines Los Baños, Los Baños,, Philippines
5 Department of Pharmacology, Faculty of Veterinary Medicine, Universitas Airlangga, 60115, Surabaya,, Indonesia
6 Research Center for Vaccine Technology and Development, Institute of Tropical Disease, Universitas Airlangga, 60115, Surabaya,, Indonesia
7 Department of Health, Faculty of Vocational Studies, Universitas Airlangga, 60115, Surabaya,, Indonesia
     

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Globally, the leading cause of death from cancer in women is infection with the human papillomavirus (HPV). This calls for imperative actions to explore anticancer drugs against this threatening viral infection, in which case, natural ingredients are presumed to be a promising source. Several studies show that plant-origin compounds such as allicin, apigenin, capsaicin, cyanidin, fisetin, genistein, laricitrin, naringenin, piperine, and syringetin have demonstrated therapeutic effects against several cancer types. In this study, the interaction mechanism of these compounds with HPV-18 E6 oncoprotein, that is known to downregulate tumor suppressor p53, was predicted using an in silico approach. Molecular docking simulations of natural ligands and E6 protein were performe, followed by chemical interaction analysis and 3D molecular visualization. Results indicated that fisetin is the best natural inhibitor as it has the lowest binding energy. It is highly recommended that the results of this study be used as a reference in designing anticancer drugs in vitro and in vivo.

Keywords

HPV, E6, cervical cancer, inhibitors, virtual screening.
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  • In Silico Study of Natural Inhibitors for Human Papillomavirus-18 E6 Protein

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Authors

Annise Proboningrat
Doctoral Program in Veterinary Science, Faculty of Veterinary Medicine, Universitas Airlangga, 60115, Surabaya,, Indonesia
Viol Dhea Kharisma
Department of Biology, Faculty of Mathematics and Natural Sciences, Universitas Brawijaya, 65145, Malang,, Indonesia
Arif Nur Muhammad Ansori
Doctoral Program in Veterinary Science, Faculty of Veterinary Medicine, Universitas Airlangga, 60115, Surabaya,, Indonesia
Rinza Rahmawati
Department of Chemistry, Faculty of Health Sciences, Muhammadiyah University of Surabaya, 60113, Surabaya,, Indonesia
Amaq Fadholly
Doctoral Program in Veterinary Science, Faculty of Veterinary Medicine, Universitas Airlangga, 60115, Surabaya,, Indonesia
Gabrielle Ann Villar Posa
School of Environmental Science and Management, University of the Philippines Los Baños, Los Baños,, Philippines
Sri Agus Sudjarwo
Department of Pharmacology, Faculty of Veterinary Medicine, Universitas Airlangga, 60115, Surabaya,, Indonesia
Fedik Abdul Rantam
Research Center for Vaccine Technology and Development, Institute of Tropical Disease, Universitas Airlangga, 60115, Surabaya,, Indonesia
Agung Budianto Achmad
Department of Health, Faculty of Vocational Studies, Universitas Airlangga, 60115, Surabaya,, Indonesia

Abstract


Globally, the leading cause of death from cancer in women is infection with the human papillomavirus (HPV). This calls for imperative actions to explore anticancer drugs against this threatening viral infection, in which case, natural ingredients are presumed to be a promising source. Several studies show that plant-origin compounds such as allicin, apigenin, capsaicin, cyanidin, fisetin, genistein, laricitrin, naringenin, piperine, and syringetin have demonstrated therapeutic effects against several cancer types. In this study, the interaction mechanism of these compounds with HPV-18 E6 oncoprotein, that is known to downregulate tumor suppressor p53, was predicted using an in silico approach. Molecular docking simulations of natural ligands and E6 protein were performe, followed by chemical interaction analysis and 3D molecular visualization. Results indicated that fisetin is the best natural inhibitor as it has the lowest binding energy. It is highly recommended that the results of this study be used as a reference in designing anticancer drugs in vitro and in vivo.

Keywords


HPV, E6, cervical cancer, inhibitors, virtual screening.

References