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Journal : Journal of Molecular Docking

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 Adhawati, Laela Agus Dwi Ananto, Agus Agustini, Nur Indah AIDA MUSPIAH Aini, Siti Rahmatul Alan Maulana, Farreh Alfiyandhini, Elya Nanda Aluh Nikmatullah Amni Hamid Andri Frediansyah, Andri Anugraheni, Audina Filsa Nur Ari Hernawan Ariani, Fitri Arinda Eka Muliani Baiq Ressa Puspita Rizma Bambang Budi Santoso Bq Tri Khairina Ilhami Bulkis, Nanda Candra Eka Puspitasari Deccati, Rizqa Fersiayana Deccati, Rizqa Fersiyana Dewi Suryani Dewi Suryani Dyke Gita Wirasisya Dyke Gita Wirasisya Eka Sunarwidhi Prasedya ERNIN HIDAYATI Ervina Handayani Haji Sunarpi Haji Sunarpi Hamidia, Baiq Zulifa Harhara, Zanira Faisal Hidayati, Agriana Rosmalina Ibadurahman, Lalu Faqih Inggit, Baiq Putri Maharani Bine Julisaniah, Nur Indah Kabir, Mila Mayanti Kanata, Nur Ramdhani Lestari, Neli Aulia Maghfirahandini, Reivirly Khairadaty Mahacita Andanalusia Maulana, Farreh Alan Maulira, Dinda Ayu Metta Octora Muhamad Haikhal Mukhlisah, Neneng Rachmalia Izzatul Mukhlishah, Neneng Rachmalia Izzatul Nadia, Ahsanu Neneng Rachmalia Izzatul Mukhlishah Ni Made Amelia Ratnata Dewi Ni Wayan Riyani Martyasari Nisa Isneni Hanifa Nugrahani, Baiq Dwiyan Nuralyza, Imasayu Pangestu, Kukuh Waseso Jati Pradita, I Made Nanda Praditama, Lalu Denendra Prasedya, Eka Sunarwidhi Pratama, Iman Surya Prazali, Arianteza Pujiarohman, Pujiarohman Putri, Latifa Rahma Raisya Hasina Ramadhani, Aliza Salsabila Ramdha, Ika Salsabila Rizki, Alpha Alfi Salsabila, Pisqiantin Aenan Saraswati, Putu Bella Aprillia Septia Budi Utami Siti Maryam Indriyati Sri Widyastuti Supiatin Sutanti, B. Novia Rahmadita Syaharani, Ninda Syavira Marwa Takamatsu, Sakura Tri Mulyaningsih Utami, Ni Wayan Putri Waseso Jati Pangestu, Kukuh Wibowo, Adi Tri Yayuk Andayani Yogi Ambana Zanira Faisal Harhara