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All Journal Medical Sains : Jurnal Ilmiah Kefarmasian Borneo Journal of Pharmacy Medical Sains : Jurnal Ilmiah Kefarmasian
Selvira Anandia Intan Maulidya
Universitas Garut
Medicine & Pharmacology

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IN SILICO STUDY: SECONDARY METABOLITES FROM RED GINGER RHIZOME (Zingiber Officinale Var. Rubrum) AS POTENTIAL INHIBITORS OF3CLpro AND PLpro OF SARS-CoV-2 Meilia Suherman; Selvira Anandia Intan Maulidya
Medical Sains : Jurnal Ilmiah Kefarmasian Vol 8 No 3 (2023)
Publisher : Sekolah Tinggi Farmasi Muhammadiyah Cirebon

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.37874/ms.v8i3.810

Abstract

The COVID-19 outbreak prompted the development of novel drugs to treat the disease. Targeting of virus proteins has attracted great interest in the discovery of COVID-19 drugs. 3CLpro and PLpro are promising targets because of their important role in viral replication. Hence, various efforts have been made to find specific therapeutics for COVID-19, including those derived from plants as anti-Covid-19. Red ginger rhizome (Zingiber officinale var. rubrum) contains secondary metabolites that are known for their health benefits. This in silico study aimed to determine the potency of red ginger rhizome as PLpro and 3CLpro of SARS-CoV-2 inhibitor which may be applied to treat COVID-19. This research was conducted using molecular docking and molecular dynamics simulations. The molecular docking simulation of red ginger compounds in complex with SARS-CoV-2 PLpro showed that 27 compounds have a binding free energy (?G) lower than that of the reference ligand. On the other hand, none of the complexes between red ginger compounds and 3CLpro had a lower binding free energy than the reference ligand. Visualization of interaction features at the PLpro of SARS-CoV-2’s active site shows that secondary metabolites dominantly interact with hydrogen bonds. The ar-curcumene and PLpro complex of SARS-CoV-2 appears very stable and has the lowest flexibility compared to HBA as a native ligand and molnupiravir as a reference ligand based on RMSD and RMSF plot analysis using molecular dynamic simulation...
Antibacterial Activity of Bandotan (Ageratum conyzoides L) Leaves Extracts Against Methicillin-Resistant Staphylococcus aureus Selvira Anandia Intan Maulidya; Doni Anshar Nuari; Shendi Suryana; Sumia Almarifah
Borneo Journal of Pharmacy Vol. 3 No. 4 (2020): Borneo Journal of Pharmacy
Publisher : Institute for Research and Community Services Universitas Muhammadiyah Palangkaraya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.33084/bjop.v3i4.1552

Abstract

Methicillin-resistant Staphylococcus aureus (MRSA) is a major cause of nosocomial infections throughout the world and can be life-threatening as well. This study aimed to determine the antibacterial activity of Bandotan (Ageratum conyzoides L) leaves ethanolic extract against MRSA's growth. Ageratum conyzoides leaves were extracted by ethanol and screened for their phytochemical constituent. Ethanolic extracts of A. conyzoides leaves were evaluated for their potential antibacterial activity using disc diffusion assay. The minimum inhibitory concentration (MIC) value was determined using the agar dilution method. Phytochemical screening shows that the extracts contain alkaloids, flavonoids, saponins, tannins, and steroids or triterpenoids. Ageratum conyzoides leaves extract shows a 25.1 mm inhibitory zone at 12.5% extract concentration with MIC value equivalents to 4.46 x 10-6 g of gentamicin. This study concludes that A. conyzoides leaves ethanolic extracts have potential antibacterial activity against MRSA.
IN SILICO STUDY: SECONDARY METABOLITES FROM RED GINGER RHIZOME (Zingiber Officinale Var. Rubrum) AS POTENTIAL INHIBITORS OF3CLpro AND PLpro OF SARS-CoV-2 Meilia Suherman; Selvira Anandia Intan Maulidya
Medical Sains : Jurnal Ilmiah Kefarmasian Vol 8 No 3 (2023)
Publisher : Sekolah Tinggi Farmasi Muhammadiyah Cirebon

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.37874/ms.v8i3.810

Abstract

The COVID-19 outbreak prompted the development of novel drugs to treat the disease. Targeting of virus proteins has attracted great interest in the discovery of COVID-19 drugs. 3CLpro and PLpro are promising targets because of their important role in viral replication. Hence, various efforts have been made to find specific therapeutics for COVID-19, including those derived from plants as anti-Covid-19. Red ginger rhizome (Zingiber officinale var. rubrum) contains secondary metabolites that are known for their health benefits. This in silico study aimed to determine the potency of red ginger rhizome as PLpro and 3CLpro of SARS-CoV-2 inhibitor which may be applied to treat COVID-19. This research was conducted using molecular docking and molecular dynamics simulations. The molecular docking simulation of red ginger compounds in complex with SARS-CoV-2 PLpro showed that 27 compounds have a binding free energy (?G) lower than that of the reference ligand. On the other hand, none of the complexes between red ginger compounds and 3CLpro had a lower binding free energy than the reference ligand. Visualization of interaction features at the PLpro of SARS-CoV-2’s active site shows that secondary metabolites dominantly interact with hydrogen bonds. The ar-curcumene and PLpro complex of SARS-CoV-2 appears very stable and has the lowest flexibility compared to HBA as a native ligand and molnupiravir as a reference ligand based on RMSD and RMSF plot analysis using molecular dynamic simulation...
Co-Authors Meilia Suherman Nuari, Doni Anshar Sumia Almarifah Suryana, Shendi