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Hidayati, Shabrina Wahyu
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Chemistry Health Professions Immunology & microbiology Materials Science & Nanotechnology Medicine & Pharmacology Public Health

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In silico Study on Physicochemical, Pharmacokinetic and Toxicity Profiles of Available Antiviral Drugs and The Drug-Target Interaction with Protease of SARS-CoV-2 Diyah, Nuzul Wahyuning; Ghifari, Aileen Syifa; Hidayati, Shabrina Wahyu; Ekowati, Juni
Camellia : Clinical, Pharmaceutical, Analytical and Pharmacy Community Journal Vol 1 No 2 (2022): Camellia (Clinical, Pharmaceutical, Analytical, and Pharmacy Community Journal)
Publisher : Universitas Muhammadiyah Surabaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30651/cam.v1i2.16714

Abstract

Introduction: In emergency conditions such as the COVID-19 pandemic, many drugs treating SARS-CoV-2 are currently being developed through the concept of repurposing the existing drugs. This study aims to evaluate the physicochemical, pharmacokinetic and toxicity (ADMET) profiles of 15 drugs that have been used clinically for other viral diseases, and inspect their activity as antivirals against SARS-CoV-2. Methods: The physicochemical properties were obtained by using the ChemDraw and the ADMET were predicted using pkCSM on line tools. The selected drugs based on Lipinski's Rules were docked into main protease of SARS-CoV-2 (PDB. 6LU7) using Molegro program. Results: Six drugs complied with Lipinski's Rules and showed good ADMET profile except for their hepatotoxicity, but favipiravir and oseltamivir were predicted to be non-hepatotoxic. Oseltamivir also showed high binding affinity with free energy score below -100 kcal/mol. Conclusions: Oseltamivir is a potential antivirus for COVID-19 based on physicochemical, ADMET profile, and in silico activity against protease of SARS-CoV-2. 
Antimicrobial Activity and Molecular Docking of Benzoyl-N,N’-dialkylurea against Target Proteins in Microbial Cells Diyah, Nuzul Wahyuning; Warsito, Gita Miranda; Isnaeni; Hidayati, Shabrina Wahyu
Camellia : Clinical, Pharmaceutical, Analytical and Pharmacy Community Journal Vol 2 No 2 (2023): Camellia (Clinical, Pharmaceutical, Analytical, and Pharmacy Community Journal)
Publisher : Universitas Muhammadiyah Surabaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30651/cam.v2i2.20903

Abstract

This research aims to evaluate the antimicrobial activity of benzoyl dialkylurea derivatives to meet the global need for new antibiotic lead compounds. Four compounds were tested in vitro against Staphylococcus aureus, Bacillus subtilis, Escherichia coli, Pseudomonas aeruginosa, and Candida albicans by broth dilution method using ciprofloxacin and nystatin as standards. Docking simulations were performed to target essential proteins including DNA gyrase, FabH, RNA polymerase in bacterial cells and DHFR in C. albicans. BDMU, BEU1, BEU2, BEU3 exhibited antibacterial activity while BEU1 and BEU2 showed weak antifungal activity against C. albicans. The BDMU, BEU2, BEU3 considered promising growth inhibition against P. aeruginosa. In silico molecular docking on DNA gyrase from P. aeruginosa (PDB. 6M1S) was proposed as a model for mechanism of action in bacterial cells. The monobenzoyl of dialkylurea containing urea functionality with chloro-substituent at position-2 and 4 on aromatic rings were potential as lead compound to generate new antibacterial agent.
Pemanfaatan Suplemen Makanan Secara Tepat Guna untuk Menjaga dan Meningkatkan Daya Tahan Tubuh Diyah, Nuzul Wahyuning; Poerwono, Hadi; Nofianti, Kholis Amalia; Poernomo, Achmad Toto; Hidayati, Shabrina Wahyu; Isnaeni, Isnaeni
Camellia : Clinical, Pharmaceutical, Analytical and Pharmacy Community Journal Vol 3 No 2 (2024): Camellia (Clinical, Pharmaceutical, Analytical, and Pharmacy Community Journal)
Publisher : Universitas Muhammadiyah Surabaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30651/cam.v3i2.24882

Abstract

Komponen makanan telah dikenal memberikan fungsi perlindungan terhadap benda asing yang mengakibatkan masalah kesehatan bagi masyarakat. Mikronutrien seperti vitamin dan mineral sangat penting bagi tubuh manusia dan kebutuhan hariannya harus dipenuhi melalui sumber makanan. Jika kebutuhan harian tidak terpenuhi karena beberapa kondisi, maka diperlukan tambahan suplemen makanan. Beberapa vitamin dan mineral berfungsi sebagai imunomodulator dan melindungi respons imun inang, sehingga mencegah penurunan daya tahan tubuh akibat serangan patogen. Berdasarkan acuan berbagai penelitian, artikel ini membahas fungsi suplemen vitamin dan mineral sebagai imunomodulator dalam meningkatkan daya tahan tubuh melalui sistem imun dan mekanisme kerja yang memperantarai fungsi ini. Kekurangan vitamin dan mineral dapat menyebabkan penurunan kinerja sistem imun, yang menjadi penyebab utama keadaan patologis dan imunologis yang tidak menguntungkan. Dari berbagai hasil penelitian secara in vitro dan in vivo dapat disimpulkan bahwa mikronutrien utama yang berperan dalam respons imun, yaitu: vitamin A, C, D, E, B6, B12, folat, dan mineral seng, zat besi, tembaga, dan selenium, dapat meningkatkan daya tahan tubuh terhadap infeksi.  Kekurangan asupan harian mikronutrien dari makanan dapat diatasi dengan memanfaatkan suplemen makanan.
In silico Study on Physicochemical, Pharmacokinetic and Toxicity Profiles of Available Antiviral Drugs and The Drug-Target Interaction with Protease of SARS-CoV-2 Diyah, Nuzul Wahyuning; Ghifari, Aileen Syifa; Hidayati, Shabrina Wahyu; Ekowati, Juni
Camellia : Clinical, Pharmaceutical, Analytical and Pharmacy Community Journal Vol 1 No 2 (2022): Camellia (Clinical, Pharmaceutical, Analytical, and Pharmacy Community Journal)
Publisher : Universitas Muhammadiyah Surabaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30651/cam.v1i2.16714

Abstract

Introduction: In emergency conditions such as the COVID-19 pandemic, many drugs treating SARS-CoV-2 are currently being developed through the concept of repurposing the existing drugs. This study aims to evaluate the physicochemical, pharmacokinetic and toxicity (ADMET) profiles of 15 drugs that have been used clinically for other viral diseases, and inspect their activity as antivirals against SARS-CoV-2. Methods: The physicochemical properties were obtained by using the ChemDraw and the ADMET were predicted using pkCSM on line tools. The selected drugs based on Lipinski's Rules were docked into main protease of SARS-CoV-2 (PDB. 6LU7) using Molegro program. Results: Six drugs complied with Lipinski's Rules and showed good ADMET profile except for their hepatotoxicity, but favipiravir and oseltamivir were predicted to be non-hepatotoxic. Oseltamivir also showed high binding affinity with free energy score below -100 kcal/mol. Conclusions: Oseltamivir is a potential antivirus for COVID-19 based on physicochemical, ADMET profile, and in silico activity against protease of SARS-CoV-2. 
Antimicrobial Activity and Molecular Docking of Benzoyl-N,N’-dialkylurea against Target Proteins in Microbial Cells Diyah, Nuzul Wahyuning; Warsito, Gita Miranda; Isnaeni; Hidayati, Shabrina Wahyu
Camellia : Clinical, Pharmaceutical, Analytical and Pharmacy Community Journal Vol 2 No 2 (2023): Camellia (Clinical, Pharmaceutical, Analytical, and Pharmacy Community Journal)
Publisher : Universitas Muhammadiyah Surabaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30651/cam.v2i2.20903

Abstract

This research aims to evaluate the antimicrobial activity of benzoyl dialkylurea derivatives to meet the global need for new antibiotic lead compounds. Four compounds were tested in vitro against Staphylococcus aureus, Bacillus subtilis, Escherichia coli, Pseudomonas aeruginosa, and Candida albicans by broth dilution method using ciprofloxacin and nystatin as standards. Docking simulations were performed to target essential proteins including DNA gyrase, FabH, RNA polymerase in bacterial cells and DHFR in C. albicans. BDMU, BEU1, BEU2, BEU3 exhibited antibacterial activity while BEU1 and BEU2 showed weak antifungal activity against C. albicans. The BDMU, BEU2, BEU3 considered promising growth inhibition against P. aeruginosa. In silico molecular docking on DNA gyrase from P. aeruginosa (PDB. 6M1S) was proposed as a model for mechanism of action in bacterial cells. The monobenzoyl of dialkylurea containing urea functionality with chloro-substituent at position-2 and 4 on aromatic rings were potential as lead compound to generate new antibacterial agent.
Pemanfaatan Suplemen Makanan Secara Tepat Guna untuk Menjaga dan Meningkatkan Daya Tahan Tubuh Diyah, Nuzul Wahyuning; Poerwono, Hadi; Nofianti, Kholis Amalia; Poernomo, Achmad Toto; Hidayati, Shabrina Wahyu; Isnaeni, Isnaeni
Camellia : Clinical, Pharmaceutical, Analytical and Pharmacy Community Journal Vol 3 No 2 (2024): Camellia (Clinical, Pharmaceutical, Analytical, and Pharmacy Community Journal)
Publisher : Universitas Muhammadiyah Surabaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30651/cam.v3i2.24882

Abstract

Komponen makanan telah dikenal memberikan fungsi perlindungan terhadap benda asing yang mengakibatkan masalah kesehatan bagi masyarakat. Mikronutrien seperti vitamin dan mineral sangat penting bagi tubuh manusia dan kebutuhan hariannya harus dipenuhi melalui sumber makanan. Jika kebutuhan harian tidak terpenuhi karena beberapa kondisi, maka diperlukan tambahan suplemen makanan. Beberapa vitamin dan mineral berfungsi sebagai imunomodulator dan melindungi respons imun inang, sehingga mencegah penurunan daya tahan tubuh akibat serangan patogen. Berdasarkan acuan berbagai penelitian, artikel ini membahas fungsi suplemen vitamin dan mineral sebagai imunomodulator dalam meningkatkan daya tahan tubuh melalui sistem imun dan mekanisme kerja yang memperantarai fungsi ini. Kekurangan vitamin dan mineral dapat menyebabkan penurunan kinerja sistem imun, yang menjadi penyebab utama keadaan patologis dan imunologis yang tidak menguntungkan. Dari berbagai hasil penelitian secara in vitro dan in vivo dapat disimpulkan bahwa mikronutrien utama yang berperan dalam respons imun, yaitu: vitamin A, C, D, E, B6, B12, folat, dan mineral seng, zat besi, tembaga, dan selenium, dapat meningkatkan daya tahan tubuh terhadap infeksi.  Kekurangan asupan harian mikronutrien dari makanan dapat diatasi dengan memanfaatkan suplemen makanan.
Co-Authors Achmad Toto Poernomo Diyah, Nuzul Wahyuning Ghifari, Aileen Syifa Hadi Poerwono Isnaeni Isnaeni Isnaeni Juni Ekowati Kholis Amalia Nofianti Warsito, Gita Miranda