Identification of Potential Activity of Volatile Compounds Derived From Pogostemon Cablin Benth as Antiviral of Sars-Cov-2

Ongko, Jeremi; Hardjo, Popy Hartatie

doi:10.22159/ijap.2023v15i1.43571

Cited by 5 publications

(2 citation statements)

References 17 publications

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“…For a very long time, various plant parts, extracts, and sophisticated products had been utilized to treat illness. In summary, more than 50,000 higher plant species are thought to be utilized for therapeutic reasons worldwide [20][21][22][23][24] .…”

Section: Resultsmentioning

confidence: 99%

Curcumin from Curcuma longa L. as Dual Inhibitors Against Indonesian SARS-CoV-2 Isolates: A Molecular Docking Study

Nidom¹,

Ansori²,

Nidom³

et al. 2023

Pharmacogn J.

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Using Lipinski's rule of five on the SCFBIO web server (http://www.scfbio-iitd. res.in/software/ drugdesign/lipinski.jsp), curcumin was utilized for further drug-likeness analysis. It was regarded as a successful forecast when two minimal guidelines ABSTRACT COVID-19 has become a global pandemic since 2020. The search for promising drugs based on the abundant herbal ingredients in Indonesia is one of the breakthroughs. Curcumin is a chemical compound with various potentials such as antioxidant, anti-inflammatory and antiviral. We conducted a molecular docking analysis to determine the potential of curcumin against SARS-CoV-2 non-structural and structural proteins, such as the main protease and spike protein. This study used the compound of curcumin (PubChem CID: 969516) from Curcuma longa L. or turmeric and two Indonesian SARS-CoV-2 isolates that have been deposited in the GISAID database (hCoV-19/Indonesia/JI-PNF-217315/2021 -EPI_ ISL_12777089 or lineage B.1.617.2 and hCoV-19/Indonesia/JI-PNF-211373/2021 -EPI_ISL_6425649 or lineage B.1.470). In addition, we used molnupiravir (PubChem CID: 145996610) as a drug control. We performed molecular docking analysis with PyRx software 0.9.9 (academic license) and visualization of molecular docking results with PyMOL software 2.5.4 (academic license). The results of this study found that curcumin had good potential against main protease and spike protein compared to the drug (control). In summary, we suggested that curcumin is a potential drug candidate against SARS-CoV-2. However, there is a need for future wet laboratory-based pre-clinical research such as in vitro and in vivo.

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Section: Resultsmentioning

confidence: 99%

Curcumin from Curcuma longa L. as Dual Inhibitors Against Indonesian SARS-CoV-2 Isolates: A Molecular Docking Study

Nidom¹,

Ansori²,

Nidom³

et al. 2023

Pharmacogn J.

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“…This interaction provides aromatic compounds that interact with single sulphur atom. 50 Sulphur gains specific function in biological activities consists folding stability and intermolecular interaction that larger than expected from vdw contacts. 51 Another research reported that S-arene interactions were preferred over O-arene ones due to the non-covalent bonds.…”

Section: Discussionmentioning

confidence: 99%

An In Silico Study: Phytochemical Compounds Screening of Garcinia atroviridis Griff. ex T. Anders as Anti-DENV

Aini,

Ansori,

Kharisma

et al. 2023

J. Pure Appl. Microbiol.

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Dengue virus (DENV) is still global problem and infecting millions of people a year. This virus belongs to Flavivirus and consists of the structural and non-structural proteins including envelop (E), capsid (C), NS2B/NS3, and NS5. Garcinia atroviridis Griff. ex T. Anders is traditional plant that has broad potential as antioxidant, antibacterial, and anti-cancer activities. However, the anti-DENV potential of this plant is uncertain. The objective of this research is to find out the potential of the phytochemical compounds of G. atroviridis as DENV antiviral drugs targeting E, C, NSB2/NS3, and NS5 proteins using molecular simulation approach. Sample retrieval was obtained from PubChem and RCSB PDB. Drug-likeness analysis has been assessed with Swiss ADME based on the pharmacology and pharmacokinetics aspects. Toxicity prediction was done by pkCSM webserver. PyRx was carried out to screen ligand-protein interaction virtually. Visualization of the best interaction was displayed by BIOVIA Discovery Studio. CABS-flex 2.0 version webserver was performed to predict stability interaction. Atroviridin was determined as the most promising as DENV antiviral to be tested by the wet laboratory approach.

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Epitope-based Vaccine Design from Alpha and Beta Variant of SARS-CoV-2: An Immunoinformatics Approach

Pratama,

Sumantri,

Fauziyah Rahman

et al. 2023

RJPT

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Coronavirus disease 2019, also known as COVID-19, is a respiratory disease. Symptoms of COVID-19 include fever, dry cough, inflammation of the throat area, loss of smell, and even breathing difficulty. COVID-19 is caused by SARS-CoV-2 infection, a virus that is a member of the coronavirus family. The SARS-CoV-2 structure consists of S (spike), M (membrane), E (envelope), and N (nucleocapsid) protein. Two SARS-CoV-2 variants, namely alpha (B.1.1.7) and beta (B.1.351) variants are considered a variant of concern (VoC) due to their increased infectivity. It has been reported that the vaccine's efficacy against these two variants decreased. The purpose of this study is to compare epitopes from S and N proteins of alpha and beta variants to find the most suitable vaccine candidate through reverse vaccinology. In this study, physicochemical properties, antigenicity, and epitope prediction, as well as molecular docking of the epitope and B cell receptor, 5IFH, were done. The result suggested that the epitope from S protein was more suitable as a vaccine candidate. S protein epitope has a lower global energy value which means that it can bind to 5IFH more spontaneously compared to N protein epitopes. The most suitable vaccine candidate for the alpha variant is Pep_B, with a global energy value of -48.77 kcal/mol, and Pep_F, for the beta variant, with a global energy value of -61.61 kcal/mol. These results would recommend the epitopes to be used in further COVID-19 vaccine development.

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Identification of Potential Activity of Volatile Compounds Derived From Pogostemon Cablin Benth as Antiviral of Sars-Cov-2

Cited by 5 publications

References 17 publications

Curcumin from Curcuma longa L. as Dual Inhibitors Against Indonesian SARS-CoV-2 Isolates: A Molecular Docking Study

Curcumin from Curcuma longa L. as Dual Inhibitors Against Indonesian SARS-CoV-2 Isolates: A Molecular Docking Study

An In Silico Study: Phytochemical Compounds Screening of Garcinia atroviridis Griff. ex T. Anders as Anti-DENV

Epitope-based Vaccine Design from Alpha and Beta Variant of SARS-CoV-2: An Immunoinformatics Approach

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