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Molecular Network Simulation of Bawang Ada’ (Eleutherine americana Merr.) from Dayak Lundayeh in North Kalimantan Tackle various Viral Infection Targeting Key Protein

Molecular Network Simulation of Bawang Ada’ (Eleutherine americana Merr.) from Dayak Lundayeh in North Kalimantan Tackle various Viral Infection Targeting Key Protein

Viral replication inhibition strategies are needed to prevent pandemics through the latest therapeutic agent designs. A viral infection occurring over a wide area is called a pandemic. The strategy of inhibiting virus replication is used to tackle the pandemic Viruses can trigger negative regulation...

पूर्ण विवरण

में बचाया:
ग्रंथसूची विवरण
मुख्य लेखकों: Rzhepakovsky, I. V., Ржепаковский, И. В.
स्वरूप: Статья
भाषा:English
प्रकाशित: Research Journal of Pharmacy and Technology 2024
विषय:
Antiviral
Eleutherine americana
Apoptosis Agonist
Bawang Ada
Bioinformatics
ऑनलाइन पहुंच:https://dspace.ncfu.ru/handle/123456789/28704
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id ir-123456789-28704
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spelling ir-123456789-287042024-08-01T13:09:22Z Molecular Network Simulation of Bawang Ada’ (Eleutherine americana Merr.) from Dayak Lundayeh in North Kalimantan Tackle various Viral Infection Targeting Key Protein Rzhepakovsky, I. V. Ржепаковский, И. В. Antiviral Eleutherine americana Apoptosis Agonist Bawang Ada Bioinformatics Viral replication inhibition strategies are needed to prevent pandemics through the latest therapeutic agent designs. A viral infection occurring over a wide area is called a pandemic. The strategy of inhibiting virus replication is used to tackle the pandemic Viruses can trigger negative regulation of apoptosis in host cells for viral survival. Apoptosis can reduce viral load and inhibit viral replication. Several types of viruses can evade the immune response through upregulation of various anti-apoptotic proteins, which allows this research to explore specific types of anti-apoptotic proteins in host cells for the design of candidate therapeutic agents. Medicinal plants from the Dayak Lundayeh tribe in North Kalimantan have potential for health, the antiviral potential of these plants has not been identified. This study aims to reveal the potential of the bioactive compounds from Bawang Ada' as antivirals with a molecular mechanism through apoptosis with an in silico approach. The in silico method used in this study consisted of ligand preparation, druglikeness analysis, pathway prediction, docking, and molecular interaction. Bawang Ada' acts as the best antiviral candidate through the activity of Erythrolaccin and Isoeleutherin compounds in inhibiting antiapoptotic proteins consisting of GSK3B and AKT1. We recommend the binding sites Val70, Leu132, Ile62, Leu188, Asp200, and Cys199 (GSK3B) and Leu210, Leu264, Tyr272, Asp292, Trp80, Lys 268, Val270, and Ser205 (AKT1) for further research as antiviral target development. 2024-08-01T13:08:29Z 2024-08-01T13:08:29Z 2024 Статья Kharisma, V.D., Listiyani, P., Murtadlo, A.A.A., Pradana, R.A.P., Ansori, A.N.M., Nugraha, A.P., Rollando, R., Susilo, R.J.K., Hayaza, S., Budagova, S.O., Nadvodnyk, G.V., Lebedev, I.G., Khalibekova, Z.N., Rzhepakovsky, I.V., Rebezov, M., Jakhmola, V., Purnobasuki, H., Wahyuni, D.K. Molecular Network Simulation of Bawang Ada’ (Eleutherine americana Merr.) from Dayak Lundayeh in North Kalimantan Tackle various Viral Infection Targeting Key Protein // Research Journal of Pharmacy and Technology. - 2024. - 17 (5). - pp. 1961-1967. - DOI: 10.52711/0974-360X.2024.00311 https://dspace.ncfu.ru/handle/123456789/28704 en Research Journal of Pharmacy and Technology application/pdf Research Journal of Pharmacy and Technology
institution СКФУ
collection Репозиторий
language English
topic Antiviral
Eleutherine americana
Apoptosis Agonist
Bawang Ada
Bioinformatics
spellingShingle Antiviral
Eleutherine americana
Apoptosis Agonist
Bawang Ada
Bioinformatics
Rzhepakovsky, I. V.
Ржепаковский, И. В.
Molecular Network Simulation of Bawang Ada’ (Eleutherine americana Merr.) from Dayak Lundayeh in North Kalimantan Tackle various Viral Infection Targeting Key Protein
description Viral replication inhibition strategies are needed to prevent pandemics through the latest therapeutic agent designs. A viral infection occurring over a wide area is called a pandemic. The strategy of inhibiting virus replication is used to tackle the pandemic Viruses can trigger negative regulation of apoptosis in host cells for viral survival. Apoptosis can reduce viral load and inhibit viral replication. Several types of viruses can evade the immune response through upregulation of various anti-apoptotic proteins, which allows this research to explore specific types of anti-apoptotic proteins in host cells for the design of candidate therapeutic agents. Medicinal plants from the Dayak Lundayeh tribe in North Kalimantan have potential for health, the antiviral potential of these plants has not been identified. This study aims to reveal the potential of the bioactive compounds from Bawang Ada' as antivirals with a molecular mechanism through apoptosis with an in silico approach. The in silico method used in this study consisted of ligand preparation, druglikeness analysis, pathway prediction, docking, and molecular interaction. Bawang Ada' acts as the best antiviral candidate through the activity of Erythrolaccin and Isoeleutherin compounds in inhibiting antiapoptotic proteins consisting of GSK3B and AKT1. We recommend the binding sites Val70, Leu132, Ile62, Leu188, Asp200, and Cys199 (GSK3B) and Leu210, Leu264, Tyr272, Asp292, Trp80, Lys 268, Val270, and Ser205 (AKT1) for further research as antiviral target development.
format Статья
author Rzhepakovsky, I. V.
Ржепаковский, И. В.
author_facet Rzhepakovsky, I. V.
Ржепаковский, И. В.
author_sort Rzhepakovsky, I. V.
title Molecular Network Simulation of Bawang Ada’ (Eleutherine americana Merr.) from Dayak Lundayeh in North Kalimantan Tackle various Viral Infection Targeting Key Protein
title_short Molecular Network Simulation of Bawang Ada’ (Eleutherine americana Merr.) from Dayak Lundayeh in North Kalimantan Tackle various Viral Infection Targeting Key Protein
title_full Molecular Network Simulation of Bawang Ada’ (Eleutherine americana Merr.) from Dayak Lundayeh in North Kalimantan Tackle various Viral Infection Targeting Key Protein
title_fullStr Molecular Network Simulation of Bawang Ada’ (Eleutherine americana Merr.) from Dayak Lundayeh in North Kalimantan Tackle various Viral Infection Targeting Key Protein
title_full_unstemmed Molecular Network Simulation of Bawang Ada’ (Eleutherine americana Merr.) from Dayak Lundayeh in North Kalimantan Tackle various Viral Infection Targeting Key Protein
title_sort molecular network simulation of bawang ada’ (eleutherine americana merr.) from dayak lundayeh in north kalimantan tackle various viral infection targeting key protein
publisher Research Journal of Pharmacy and Technology
publishDate 2024
url https://dspace.ncfu.ru/handle/123456789/28704
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