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All Journal Jurnal Pengabdian UntukMu NegeRI ALCHEMY Jurnal Penelitian Kimia Indonesian Journal of Chemistry JURNAL PHOTON Molekul: Jurnal Ilmiah Kimia Acta Chimica Asiana Makara Journal of Science Molekul: Jurnal Ilmiah Kimia
Syahri, Jufrizal
Department Of Chemistry, Universitas Muhammadiyah Riau
Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Economics, Econometrics & Finance Education Energy Environmental Science Law, Crime, Criminology & Criminal Justice Materials Science & Nanotechnology Nursing Physics Social Sciences

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Journal : Molekul: Jurnal Ilmiah Kimia

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Molecular Docking of Xanthone Derivatives as Therapeutic Agent for Covid-19 Emmy Yuanita; Sudirman Sudirman; Ni Komang Tri Dharmayani; Maria Ulfa; Saprizal Hadisaputra; Jufrizal Syahri
Molekul Vol 17 No 1 (2022)
Publisher : Universitas Jenderal Soedirman

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20884/1.jm.2022.17.1.5600

Abstract

Covid-19 has caused more than 14 million confirmed cases and more than 6 hundred deaths as of 21 July 2020 globally. However, there is no approved drug to treat the disease. Xanthone is a potential therapeutic option for the virus that have been tested using molecular docking. There were 12 of xanthone compounds and its derivatives which have been docked against two protein crystals, 2GX4.pdb and 6FV1.pdb, which obtained two potential compounds of hydroxyxanthone derivatives with sulfonate and chloro substitution. These compounds are potentially developed into one of the agents for the treatment of infection COVID-19 disease. Based on energy data and interactions with amino acid residues when compared with its own native ligands, namely NOL and E8E, respectively. Energy docking and energy docking interactions are equal to - 43.3057and - 45.5805 Kcal/mol respectively, during interactions with amino acid residues in the form of Gly 142, His 163, Cys144, Glu166, Gln164 and His 41. Based on these two data, it can be concluded that trihydroxyxanthone compounds 4 and 8 with chloro and sulfonate substitution are very potential to be developed as drug agents for Covid-19 disease therapy through protease inhibition.
Co-Authors Adel Zamri Bambang Purwono Beta Achromi Nurohmah Beta Achromi Nurohmah Chairil Anwar Denai Wahyuni Emmy Yuanita Emmy Yuanita Eti Norhaslinda Fitra Perdana Hasmalina Nasution Hasmalina Nasution Hasmalina Nasution Hasmalina `Nasution Ika Septiana Jasril Jasril Kamal Rullah Maria Ulfa Nasution, Annio Indah Lestari Netti Gustina Nur Enizan Nurlaili Nurlaili Nurlaili Nurlaili Nurlailli Nasution Nurul Hidayah Olif Syahbella Prasetya Prasetya Prasetya Rahmadini Syafri Rahmadini Syafri Rahmadini Syafri Rahmiwati Hilma Rudi Hendra Saprizal Hadisaputra Sari, Nila Puspita Sri Hilma Siregar Sudirman Sudirman Suma Rahmani Harahap Tri Dharmayani, Ni Komang Trisiwi Kusumaningrum Wirdati Irma Yeni Yernita Yuana Nurulita Yuharmen Yuharmen Yum Eryanti