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All Journal Indonesian Journal of Cancer Chemoprevention Journal of Mathematical and Fundamental Sciences Indonesian Journal of Tropical and Infectious Disease JPM17: Jurnal Pengabdian Masyarakat UNEJ e-Proceeding Berkala Kedokteran JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA Science and Technology Indonesia Panrita Abdi - Jurnal Pengabdian pada Masyarakat Universa Medicina ALCHEMY Jurnal Penelitian Kimia JSFK (Jurnal Sains Farmasi & Klinis) Jurnal Kreativitas PKM PengabdianMu: Jurnal Ilmiah Pengabdian kepada Masyarakat Jurnal Abdi: Media Pengabdian Kepada Masyarakat Journal of halal product and research (JHPR) Humanism : Jurnal Pengabdian Masyarakat Berkala Ilmiah Kimia Farmasi Pharmaceutical Sciences and Research (PSR) Jurnal Bakti Untuk Negeri Riset Informasi Kesehatan Camellia
Juni Ekowati
Departemen Ilmu Kefarmasian, Fakultas Farmasi, Universitas Airlangga
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Journal : Camellia

 1 
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. 
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. 
Co-Authors AA Sudharmawan, AA Abdul Jabbar, Davano Al Raffi Abdul Rahem, Abdul Achmad Toto Poernomo Achmad Toto Purnomo Adam Hermawan Adi Priatna, Puja Adinda Adelia Wulandari Afandi, Ryan Ainul Yaqin Ainurrizma, Dhea Ananda Akhmad Aminur Rizqia Alief Putriana Rahman Anang Setyo Wiyono Ardhayanti, Erlina Asri Darmawati Bambang Tri Purwanto Bastiana Bastiana Bermawi, Bastiana Dewi Isadiartuti Dewi Melani Hariyadi Dini Retnowati Diyah, Nuzul Wahyuning Diyah, Nuzul Wahyuning Djoko Agus Purwanto Dwi Setyawan Edy Meiyanto Edy Meiyanto Eko Pujiono, Feri Elkania Putri, Safira Engrid Juni Astuti Erawati, Erawati Erika Christy Marentek Esti Hendradi Etik Wahyuningsih Farida Ifadotunnikmah Febrianti, Winanda Rizki Fery Eko Pujiono, Fery Eko Fery Pujiono, Fery Galih Satrio Putra Galih Satrio Putra Ghifari, Aileen Syifa Ghinalya Chalbi Ananda Ghinalya Chalbi Ananda Gusti Rizaldi Hadi Poerwono Handayani, Rosita Hanifah Ridha Rabbani Hariyadi, Dewi Melany Hartono, Thalia Vanessa Heinrich Dengi Hidayati, Shabrina Wahyu I NYOMAN WIJAYA Ichsanto, Farhan Hanang Ida Kristianingsih Ilham Bagus Sagitaras Imamatin Nufus Melania Isnaeni isnaeni, isnaeni isnaeni Isnalita Isnalita, Isnalita Istna Nur’ainul Yaqin Itsna Nur ‘Ainul Yaqin Iwan Sahrial Hamid Kanzaffa, Firly Afnauriza Tedja Kholidah Febriani Kholis Amalia Nofianti Lia Agustina, Lia Luqmanul Hakim M. Faris Adrianto Mangestuti Agil Marcellino Rudyanto Marcellino Rudyanto Maulia, Arwinda Melanny Ika Sulistyowati Melanny Ika Sulistyowaty Miatmoko, Andang Moch Davit Abdul Majid Mochammad Yuwono Mohammad Rizki Fadhil Pratama Muhamad Ilham Royyan Nafi’ Muhammad Agus Syamsur Rijal Muhammad Faris Adrianto, Muhammad Faris Muhammad Ilham Royyan Nafi Muhammad Yuwono Muhammad Yuwono Muhammad yuwono Muhammad yuwono, Muhammad Yuwono Muhammad Yuwono Naufal, Adam Mochammad Ninis Yuliati, Ninis Noor Erma Nasution Noor Erma Nasution Noor Erma Nasution Noor Erma Nasution Sugijanto Noor Erma Nasution Sugijanto Noorma Rosita Norhayati Norhayati Nusandari, Ratna Paramita, Diajeng Putri Pebrianti, Denayu Poernomo, A.Toto Praditapuspa, Ersanda Nurma Pratama, Adam Prawitasari, Neny Prayoga, Adistiar Pujiono, Ferry Eko Purnomo, Ahmad Toto Purwitasari, Neny Putri Hamidah Khairunnisa Rahman, Ave Rahmana Emran Kartasasmita Rais Razak Ramadhani, Firmansyah Ardian Randiman, Sugijanto Sugijanto Rani, Karina Citra Retno Sari Rian Putra Pratama Rianti, Dian Ratna Riesta Prima Harinastitic Rijal, Agus Syamsur Rossa Auli Tasha Ruri Intan Nurcahyaningtyas Sariwati, Atmira Savitri, Orchidea Meidy Nurintan Setiawan, Albertus Aditya SETIAWAN, Catur Dian Setyo Wiyono, Anang Shigeru Sasaki Shigeru Sasaki Shihab, Fawaz Siswandono Siswandono, Siswandono Siswandono, Siswandono Siti Rahmah Soleh, Mochammad Soraya, Yasmin Sovia Aprina Basukia Suciati Suciati Sugijanto Sugijanto Kartosentono Sugijanto Kartosentono Sugijanto Sugijanto Sugijanto Sugijanto Randiman Sugijanto, Noor Erma Nasution Noor Erma Nasution Sukardiman Suko Hardjono Sulistyowati, Melanny Ika Susanto, Julian Dwi Suwarno Putra, Adryansyah Suzana SUZANA, SUZANA Syahrani, Achmad Tahta Amrillah Tiara Puspa Asriningrum Tri Ana Mulyati, Tri Ana Tri Widiandani Tutuk Budiati Tutuk Budiati Ulvan, Angkasa Megistra Wardani, Siska Widji Soeratri Winantari, Agnes Nuniek Wiwied Ekasari Yaqin, Istna Nur’ainul Yusniasari, Putri Antika Yusuf, Helmy