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Journal : Molekul: Jurnal Ilmiah Kimia

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 'Ardhuha, Jannatin A. Wahab Jufri Abdul Jihad Abdul Syukur Adawiah, Rabiatun Afandi, Muhammad Rosyad Agil Al Idrus Agil Al Idrus Agus Abhi Purwoko Agus Abhi Purwoko Agus Abhi Purwoko Agus Abhi Purwoko Agus Abhi Purwoko Agus Abhi Purwoko Agus Dwi Ananto, Agus Agus Ramdani Agus Ramdani Agus Ramdani Agus Ramdani Agus Ramdani Ahmad Abdan Syukron Ahmad Fudholi Ainun Jariah Alamsyah Mustika Wardani Aliefman Hakim Aliefman Hakim Aliefman Hakim Aliefman Hakim Aliefman Hakim Aliefman Hakim Aliefman Hakim Aliefman Hakim Aliefman Hakim Aminah Aminah Anggia Muawwadatul Audini Anshori, Mufid Ariessaputra, Suthami Aris Doyan Aris Doyan Aris Doyan Arisanti, Ivon Arliani, Baiq Sopian Ashyar, Mochammad Asman Ardiyansyah Asni Asni Astini, Baiq Nilawati Atmanegara, Lalu Kusnendar Ayu Rizki Mujiyanti Azzauri, Supyan Bahtiar Bahtiar Baiq Dian Arianingsih Baiq Fara Dwirani Sofia Baiq Fara Dwirani Sofia Baiq Fara Dwirani Sofia Baiq Fara Dwiriani Sofia Baiq Maysi Dwi Alvioni3 Baiq Nila Sari Ningsih Baiq Sari Supriantini Bq. Dea Gustina Wandari Burhanuddin Burhanuddin Burhanuddin Burhanuddin Burhanuddin Chomsa Asih Lestari Cok Istri Wulandari Dadi Setiadi Dhony Hermanto Dina Asnawati Dini Handayani Disa, Raka Rangga Duha Hardiyanti Awalia Dwi Laksmiwati Dwi Laksmiwati Dwi Rizki Syaufitri Dwi Wahyudiati Dwiki Meila Rosa Eka Junaedi Eka Junaidi Elmawati Elmi Royani Elsa, Putri Emmy Yuanita Emmy Yuanita Erfanny, Anjelina Erich Efendi Mahesa Ermia Hidayanti Etty Nurul Wahidah Evie Kama Lestari Fanfiana, Rieke Oktavia Farah Dhiyah Alfini Sarnyoto Farid Wajdi Farizal, Reza Febriansyah, Dimas Raga G. Gunawan, G. Galuh Pratiwi, Dian Gilang Hasim Gito Hadiprayitno Gunawan Gunawan Gunawan Gunawan Hamidsyukrie Hamidsyukrie Hamidsyukrie, Hamidsyukrie Handa Muliasari Hardani, H Harno Dwi Pranowo Harno Dwi Pranowo Hasna Hasna Hasnawati Hasnawati Helita Sefitri Dechayantari Hidayatullah, M. Riski Hidayatussani Hidayatussani I Gede Karunia Soenarko I Gede Karunia Soenarko I Nyoman loka Ida Ayu Putu Armyani Ihsan, Muhammad Shohibul Ihwani, Baiq Alfifatul Ilham Kurniawan Ilham Syahrul Jiwandono Iliana, Hezi Septi Imam Rustandi Indah Febriani Indriyatno Ismi, Baiq Robi’atul Iwan Sumarlan Izzah, Bidayatul Jamaluddin Jamaluddin Jamaluddin Jamaluddin Jannatin 'Ardhuha Jannatin Ardhuha JANNATIN ARDHUHA, JANNATIN Jannatin Arduha Jannatin ‘Ardhuha Jazera Alfani Jeckson Siahaan Jeckson Siahaan Jeckson Siahaan Jeckson Siahaan Jono Irawan Jono Irawan Jono Irawan Jono Irawan Jufrizal Syahri Juni Kartini Kukuh Waseso Jati Pangestu L. Rudyat Telly Savalas Lalu Adian Gifari Lalu Kusnendar Atmanegara Lalu Muhaimi Lalu Muhamad Ali Zakaria Lalu Muhamad Ali Zakaria Lalu Muliyadi Lalu Muliyadi Lalu Randa Hazri Ramdani Lalu Rudyat Telly Savalas Lalu Rudyat Telly Savalas LALU RUDYAT TELLY SAVALAS Lalu Rudyat Telly Savalas Lalu Rudyat Telly Savalas Lalu Rudyat Telly Savalas Lalu Rudyat Telly Savalas Lalu Sumardi Lalu Syauki MS Lalu Zulkifli Lalu Zulkifli Lestari, Chomsa Asih Lia, Zulfa Aulia Hasni Lidya Hasmaningsih Lorenz R Canaval M. Najamudin Nopriadi Mahrus Mahrus Maria Ulfa Masloka, Michael Jonathan Maulida Septiyana Maulida, Yunia Maya Indahsari Minasari Minasari Mochammad Ashyar Moh. Ridho Imam Alfarizi Muh. Makhrus Muhammad Arsyik Kurniawan Muhammad Dhani Ardha Muhammad Hanafi Muhammad Haris Effendi Hasibuan Muhammad Khaerul Anam Muhammad Ridwan Rafsanjani Muhammad Rusdi Muhammad Shohibul Ihsan Muhammad Taufik Muhammad Taufik Muhammad Yustiqvar Muhammad Yustiqvar Muhammad Zohri Muhammad Zohri Muhammad Zohri Muhammad Zuhdi Muhlis Muhlis Mukhtar Haris Mukhtar Haris Mukhtar Haris Muntari Muntari Muntari Muntari Muntari Muntari Muntari Muntari Muti’ah Muti’ah Muti’ah Muti’ah Muzalli Andrean Nabila Widiawati Ni Kadek Mai Sasmita Wardani Ni Made Yeni Suranti Ni Nyoman Sri Putu Verawati Niken Rizky Johana Niko Prasetyo Nina Nisrina Nishfiya Ramdoniati Nita Wardani Nur Aini Fitri Nurkomalasari Nurkomalasari Nursafitri, Atmi Izzah Nurul Fitri Nuryono Nuryono Pahrudin, Pahrudin Prapti Sedijani Prapti Sedijani Prapti Sedijani PRAPTI SEDIJANI, PRAPTI Prasetyo, Niko Putra, Danu Eka Putri Martina Lianti QUDRATUDDARSI, HILMAN Qurratul Aima R. Rahmawati Rabiatun Adawiah Rabiatun Adawiah Rachmawati Rachmawati Radayatun Hasanah Rahman, Baiq Adila Pratiwi Rahmawati Rahmawati Rahmawati Rahmawati Raihanun, Siti Rara Nabilla Arieno Rassyi, Sultan Fakhrur Rayandra Asyhar Rekasawiji, Spir Senyum Restu Hidayanti Ria Armunanto Ria Armunanto Ria Duana Saptia Rinjani, Nazla Putri Riska Dia Sapitri Risma Pramudia Ningtyas Rizky Jasahuldia Rohana Sopiati Rosita Wati Rostika Rostika Roy Setiadi Safrina Azaria Rahman Salmanto Salmanto Samsul Hadi Sanjangi Ailillah Saprini Hamdiani Saptia, Ria Duana Sekar Wangi Sha-Ling Han Silva, Shelly Melsyan Siti Nurhaslinda Siti Nurul Yaqutu Burhani Siti Rabiatul Adawiyah Siti Raihanun Siti Raudhatul Kamali Siti Soleha Sofia, Baiq Fara Dwirani Sofia, Baiq Fara Dwiriani Sopia Novitasari Sopiati, Rohana Sudirman Sudirman Suhubdy Suhubdy Sunniarti Ariani Supriadi Supriadi Supriadi Susilawati Susilawati - Suslawati Susilawati Syafruddin Syafruddin Syahrial Ayub Syahrial Ayub Syahrial Ayub, Syahrial Syamsul Hakim Syarifa Wahidah Al Idrus Syarifa Wahidah Al Idrus Syarifa Wahidah Al Idrus Syarifa Wahidah Al Idrus Syarifa Wahidah Al-Idrus Thoyibah, Zurriyatun Tri Dharmayani, Ni Komang Tri Haryati Tri Mei Elita Trihandayani, Baiq Nisrina Ulviana Ulviana Ulviana, Ulviana ulyanur khairunnufus Wahidah, Etty Nurul Wahyu Ibnistnaini Wardani, Arifta Kusuma waridatun nisa Wildan Wildan Wildan Wildan Wildan Wildan Yasa, I Komang Permana Yayuk Andayani Yayuk Andayani Yayuk Andayani Yayuk Andayani Yayuk Andayani Yayuk Andayani Yayuk Andayani Yayuk Andayani Yulia Rahmah Yunita Arian Sani Anwar YUNITA ARIAN SANI ANWAR Yusni, Wahyudi Zohrul Iskandar Zulandri Zulandri Zulfan Hatami Zulkarnain Zulkarnain