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All Journal JURNAL KIMIA SAINS DAN APLIKASI Jurnal Kedokteran Elkawnie Pharmauho: Jurnal Farmasi, Sains, dan Kesehatan Pro Food Lantanida Journal Al-Kimia Acta Pharmaciae Indonesia : Acta Pharm Indo Majalah Farmaseutik Indonesian Journal of Chemistry Jurnal Agrotek UMMat JCES (Journal of Character Education Society) WIDYABHAKTI Jurnal Ilmiah Populer J-Dinamika: Jurnal Pengabdian Kepada Masyarakat Acta Chimica Asiana Amina Lumbung Farmasi : Jurnal Ilmu Kefarmasian SPIN: Jurnal Kimia & Pendidikan Kimia Jurnal Ilmiah Abdi Mas TPB Unram Journal of Multidisciplinary Applied Natural Science Sasambo Journal of Pharmacy INDRA: Jurnal Pengabdian kepada Masyarakat Journal of Molecular Docking Jurnal Pijar MIPA Jurnal Pendidikan dan Pengabdian Masyarakat Molekul: Jurnal Ilmiah Kimia Journal of Tropical Pharmacy and Chemistry
Agus Dwi Ananto, Agus
Universitas Mataram
Agriculture, Biological Sciences & Forestry Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Economics, Econometrics & Finance Education Energy Engineering Environmental Science Health Professions Immunology & microbiology Languange, Linguistic, Communication & Media Materials Science & Nanotechnology Mathematics Medicine & Pharmacology Physics Social Sciences Other

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Journal : Journal of Molecular Docking

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The Study of Potential Antiviral Compounds from Indonesian Medicinal Plants as Anti-COVID-19 with Molecular Docking Approach Baiq Ressa Puspita Rizma; Agus Dwi Ananto; Anggit Listyacahyani Sunarwidhi
Journal of Molecular Docking Vol 1 No 1 (2021): Journal of Molecular Docking
Publisher : Institute for Research and Community Services Universitas Muhammadiyah Palangkaraya

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (418.135 KB) | DOI: 10.33084/jmd.v1i1.2307

Abstract

Corona Virus Disease 2019 (COVID-19) is a new strain of coronavirus called SARS-CoV-2, which was identified in Wuhan, China, in December 2019. The rapid transmission of COVID-19 from human to human forced researchers to find a potent drug by setting aside the time-consuming traditional method in drug development. The molecular docking approach is one a reliable method to screening compound from chemical drug or by finding a compound from Indonesian herbal plants. The present study aimed to assess the potency of compounds from five medicinal plants as potential inhibitors of PLpro and 3CLpro from SARS-CoV-2 using molecular study. The molecular docking was performed using Protein-Ligand Ant System (PLANTS) to analyze the potential compounds by the docking score. Remdesivir triphosphate was used as a standard for the comparison of the test compounds. The docking score obtained from the docking of PLpro with native ligand, remdesivir triphosphate, curcumin, demethoxycurcumin, bisdemethoxycurcumin, luteolin, apigenin, quercetin, kaempferol, formononetin-7-O-glucuronide, andrographolide, and neoandrographolide were -111.441, -103.827, -103.609, -102.363, -100.27, -79.6655, -78.6901, -80.9337, -79.4686, -82.1124, -79.1789, and -97.2452, respectively. Meanwhile, docking score with 3CLpro for the same ligand were -64.0074, -86.1811, -81.428, -87.1625, -78.2899, -73.4345, -70.3368, -71.5539, -68.4321, -72.0154, -75.9777, and -93.7746. The docking score data suggest that curcumin was the most potential as a PLpro inhibitor, while neoandrographolide was the best as a 3CLpro inhibitor.
Co-Authors Agus saputra Anjar Purba Asmara Azariani, Wiwin Baiq Ressa Puspita Rizma Baiq Ressa Puspita Rizma Baiq Sofianti Annisa Candra D Hamdin Candra Dwipayana Hamdin Candra Dwipayana Hamdin Candra Eka Puspitasari Deccati, Rizqa Fersiyana Dian Fathita Dwi Lestari Diantama Hiraswari Rahmadari Diva Almira Dwiki Setyo Nugroho Dyke Gita Wirasisya Erwinayanti, Gusti Ayu Putu Sri Eti Nurwening Sholikhah Evie Kama Lestari Fitria, Anggit Handa Muliasari Handa Muliasari Handa Muliasari Handa Muliasari Handa Muliasari Handa Muliasari Harno Dwi Pranowo I Made Sudarma Iman Surya Pratama Jumina Jumina Kurniawan, Yehezkiel Steven Lalu Aang Robby Dewantara Lalu Husnul Hidayat Lalu Sanik Wahyu F. A Lalu Undrus Yusditia M. G Luh Putu Gina Sri Budiani Maulida Septiyana Maulidya, Selvira Anandia Intan Mudasir Mudasir Muhsinul Ihsan Muhsinul Ihsan Muhsinul Ihsan Muliasari, Handa Muliasari, Handa Murniyati Murniyati Murniyati, Murniyati ndayani, Yayuk Ni Made Detia Suryadnyani Nokman Riyanto Prasetyo, Niko Pratama, Iman Surya Rahmatul Aini, Siti Ria Armunanto Rian Jumawardi Rizqa Fersiyana Deccati Rizqa Fersiyana Deccati Rizqa Fersiyana Deccati Rizqa Fersiyana Deccati Royana Ari Pratiwi Putri Saprizal Hadisaputra Saprizal Handisaputra Siti Rahmatul Aini Sunarwidhi, Anggit Listyacahyani Suryadnyani, Ni Made Detia Syarah Megianti Fahira Virnia Wanda Utami Wahida Hajrin Wahida Hajrin Widayanti Supraba Winarto Haryadi Windah Anugrah Subaidah Yayuk Andayani Yek Zen Mubarok Yohanes Juliantoni Yohanes Juliantoni Yohanes Juliantoni, Yohanes Yuniarthi Dwi Suputri Yuyun Ramdani