Mangostenone Bioactive Compound from Garcinia mangostana L. as Antiviral Agent via Dual Inhibitors Against E6 HPV 16/18 Oncoprotein through Computational Simulation

HPV is a DNA virus from Papillomaviridae about 170 types have been identified and most of these viruses can triger cervial cancer disease. Types of HPV that can trigger cervical cancer consist of HPV-16 and HPV-18 with around 70% of cases, HPV-6 and HPV-11 only trigger genital warts. Types of HPV-16...

Descrizione completa

Salvato in:

Dettagli Bibliografici
Autori principali:	Sizonenko, M. N., Сизоненко, М. Н.
Natura:	Статья
Lingua:	English
Pubblicazione:	2024
Soggetti:	Antiviral HPV Dual Inhibitors Garcinia mangostana Mangostenone
Accesso online:	https://dspace.ncfu.ru/handle/20.500.12258/26478
Tags:	Aggiungi Tag Nessun Tag, puoi essere il primo ad aggiungerne! !

id	ir-20.500.12258-26478
record_format	dspace
spelling	ir-20.500.12258-264782024-02-15T14:31:36Z Mangostenone Bioactive Compound from Garcinia mangostana L. as Antiviral Agent via Dual Inhibitors Against E6 HPV 16/18 Oncoprotein through Computational Simulation Sizonenko, M. N. Сизоненко, М. Н. Antiviral HPV Dual Inhibitors Garcinia mangostana Mangostenone HPV is a DNA virus from Papillomaviridae about 170 types have been identified and most of these viruses can triger cervial cancer disease. Types of HPV that can trigger cervical cancer consist of HPV-16 and HPV-18 with around 70% of cases, HPV-6 and HPV-11 only trigger genital warts. Types of HPV-16 and HPV-18 are high risk in triggering cervical cancer. High risk HPV types have the ability to interfere with the performance of tumor suppressors in cells through oncoprotein activity. E6 is a crucial oncoprotein because it allows degradation of tumor suppressors in host cells, E6 can be a major target in antiviral drug design. Inhibition of the E6 domain by antiviral candidate compounds is an important part of preventing the formation of the E6-p53 complex and preventing cancer development. Garcinia mangostana L. (Mangosteen) is a traditional medicine for treating bacterial, viral, fungal infections, as an antioxidant, and for degenerative diseases. This study aims to explore the potential of mangostenone compounds from Garcinia mangostana L. as HPV antivirals through inhibition of the E6 oncoprotein on HPV-16 and HPV-18 through in silico study. In silico analysis methods such as drug likeness, antiviral probability, docking simulation, chemical interaction analysis, and molecular visualization were used in this study to reveal HPV antiviral candidates from Mangostenone derivatives. Mangostenone derivative compounds from Garcinia mangostana L. can be antiviral candidates for HPV through a dual inhibitory mechanism by Mangostenone A. These compounds have strong activity through more negative binding affinity values and weak bonds such as hydrogen and hydrophobic bonds compared to other mangostenone derivative compounds. 2024-02-15T14:30:32Z 2024-02-15T14:30:32Z 2023 Статья Kharisma, V.D., Listiyani, P., Murtadlo, A.A.A., Pradana, R.A.P., Ansori, A.N.M., Nugraha, A.P., Rahayu, S., Rahmawati, C.T., Obukhova, A.A., Gasanov, Z.A., Dzaurova, Z.A., Osmanov, R.M., Sizonenko, M.N., Rebezov, M., Jakhmola, V., Purnobasuki, H., Wahyuni, D.K. Mangostenone Bioactive Compound from Garcinia mangostana L. as Antiviral Agent via Dual Inhibitors Against E6 HPV 16/18 Oncoprotein through Computational Simulation // Research Journal of Pharmacy and Technology. - 2023. - 16 (11). - pp. 5045-5050. - DOI: 10.52711/0974-360X.2023.00817 http://hdl.handle.net/20.500.12258/26478 en Research Journal of Pharmacy and Technology application/pdf
institution	СКФУ
collection	Репозиторий
language	English
topic	Antiviral HPV Dual Inhibitors Garcinia mangostana Mangostenone
spellingShingle	Antiviral HPV Dual Inhibitors Garcinia mangostana Mangostenone Sizonenko, M. N. Сизоненко, М. Н. Mangostenone Bioactive Compound from Garcinia mangostana L. as Antiviral Agent via Dual Inhibitors Against E6 HPV 16/18 Oncoprotein through Computational Simulation
description	HPV is a DNA virus from Papillomaviridae about 170 types have been identified and most of these viruses can triger cervial cancer disease. Types of HPV that can trigger cervical cancer consist of HPV-16 and HPV-18 with around 70% of cases, HPV-6 and HPV-11 only trigger genital warts. Types of HPV-16 and HPV-18 are high risk in triggering cervical cancer. High risk HPV types have the ability to interfere with the performance of tumor suppressors in cells through oncoprotein activity. E6 is a crucial oncoprotein because it allows degradation of tumor suppressors in host cells, E6 can be a major target in antiviral drug design. Inhibition of the E6 domain by antiviral candidate compounds is an important part of preventing the formation of the E6-p53 complex and preventing cancer development. Garcinia mangostana L. (Mangosteen) is a traditional medicine for treating bacterial, viral, fungal infections, as an antioxidant, and for degenerative diseases. This study aims to explore the potential of mangostenone compounds from Garcinia mangostana L. as HPV antivirals through inhibition of the E6 oncoprotein on HPV-16 and HPV-18 through in silico study. In silico analysis methods such as drug likeness, antiviral probability, docking simulation, chemical interaction analysis, and molecular visualization were used in this study to reveal HPV antiviral candidates from Mangostenone derivatives. Mangostenone derivative compounds from Garcinia mangostana L. can be antiviral candidates for HPV through a dual inhibitory mechanism by Mangostenone A. These compounds have strong activity through more negative binding affinity values and weak bonds such as hydrogen and hydrophobic bonds compared to other mangostenone derivative compounds.
format	Статья
author	Sizonenko, M. N. Сизоненко, М. Н.
author_facet	Sizonenko, M. N. Сизоненко, М. Н.
author_sort	Sizonenko, M. N.
title	Mangostenone Bioactive Compound from Garcinia mangostana L. as Antiviral Agent via Dual Inhibitors Against E6 HPV 16/18 Oncoprotein through Computational Simulation
title_short	Mangostenone Bioactive Compound from Garcinia mangostana L. as Antiviral Agent via Dual Inhibitors Against E6 HPV 16/18 Oncoprotein through Computational Simulation
title_full	Mangostenone Bioactive Compound from Garcinia mangostana L. as Antiviral Agent via Dual Inhibitors Against E6 HPV 16/18 Oncoprotein through Computational Simulation
title_fullStr	Mangostenone Bioactive Compound from Garcinia mangostana L. as Antiviral Agent via Dual Inhibitors Against E6 HPV 16/18 Oncoprotein through Computational Simulation
title_full_unstemmed	Mangostenone Bioactive Compound from Garcinia mangostana L. as Antiviral Agent via Dual Inhibitors Against E6 HPV 16/18 Oncoprotein through Computational Simulation
title_sort	mangostenone bioactive compound from garcinia mangostana l. as antiviral agent via dual inhibitors against e6 hpv 16/18 oncoprotein through computational simulation
publishDate	2024
url	https://dspace.ncfu.ru/handle/20.500.12258/26478
work_keys_str_mv	AT sizonenkomn mangostenonebioactivecompoundfromgarciniamangostanalasantiviralagentviadualinhibitorsagainste6hpv1618oncoproteinthroughcomputationalsimulation AT sizonenkomn mangostenonebioactivecompoundfromgarciniamangostanalasantiviralagentviadualinhibitorsagainste6hpv1618oncoproteinthroughcomputationalsimulation
_version_	1809808720926867456

Mangostenone Bioactive Compound from Garcinia mangostana L. as Antiviral Agent via Dual Inhibitors Against E6 HPV 16/18 Oncoprotein through Computational Simulation

Documenti analoghi