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Journal : Sinteza

Telaah Potensi Antivirus Mitraginin terhadap Protease 3CLpro SARS-CoV-2 dengan Pendekatan Molecular Docking Setiawansyah, Arif; Susanti, Gita; Hidayati, Nurul; Gemantari, Baiq Maylinda; Alrayan, Reza; Hadi, Ismanurrahman; Luthfiana, Dewi; Hasanah, Nurul
Sinteza Vol. 4 No. 2 (2024): August
Publisher : Universitas Hamzanwadi

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29408/sinteza.v4i2.25634

Abstract

SARS-CoV-2 is a novel coronavirus identified as a major caused of COVID-19. COVID-19 can be prevented and managed by preventing the SARS-CoV-2 infection through inhibition of SARS-CoV-2 main protease. Mitragynine is one of the major compounds found in Mitragyna speciosa leaves that has the potential to be developed as an anti-COVID-19 agent. This research was implemented to evaluate that potential by observing the molecular interaction of mitragynine with the essential amino acid residues of SARS-CoV-2 3CLpro. The study was undertaken by in silico method via molecular docking approach using Autodock 4.2. The potential of mitragynine in inhibiting the SARS-CoV-2 main protease was justified based on its free binding energy and Ki. The result revealed that mitragynine exhibited a lower free binding energy and Ki than remdesivir with the free binding energy and Ki value of -7.80 kcal/mol dan 1.92 µM dan -7.41 kcal/mol dan 3.72 µM, respectively. This concluded that mitragynine has the potential as a SARS-CoV-2 main protease inhibitor with the affinity was better than remdesivir. However, further in vitro research must be carried out to prove this potential. 
Co-Authors -, Mardiati A, Ariyadi A.A. Ketut Agung Cahyawan W Abdul Halik Abdul Qodir Jailani Abdullah A, Nisa Nurmauliddiana Abdullah Sani Achmad Fauzi Achmad, Amsakar Achmad, Andika Adi Saputra Achyar, Afifatul Aco Zulham Faridh Ade Evi Fatimah Adelia, Syahfira Adi Prasetiyo, Ricky Aditia, Neysa Savita Putri Afif Arya, Rama Afifah, Silvi Nur afni, khairina Agung Stiawan Agustiningsih, Maulida Dwi Ahmad Khoiri Aini, Jannati Nur Aisah Aisah Aisah Akhmad Fauzi Alawiyah, Rafika Aldo Eko Syaputra Alimin Mahyudin Almer Alfarisyi, Andi Muhammad Alpino Susanto, Alpino Alrayan, Reza Alwi HS, Muhammad Alwina, Sakura Alya Rahma Halik Amar, Siti Salama Amelia Putri, Winda Amelia Rika Ananta Sitorus, Sakila Andi Adhelya Putri Ramadhani Andi Dewi Riang Tati Andi Gunawan Andika, Sri Andini, Nasya Aulia Andri Yulius Caesar, Leo Anggada, Satria Pria Anggela, Munik Anggita Maharani Anggraini, Dini Dwi Angin, Arsip Perangin angraini, fitri Apriliani, Leni AR, Fathur Rohman, Arafah Julianto, Teguh Ardania Ardianti, Windi Ariani, Gusti Meinar Girda Arif Setiawansyah Arina Eliana Fitria Aripa Hasanah , Nur Armina, Armina Arrizka, Aisyah Arsya, Dinara Eza Syahadati Asia, Nazha Delmora Asmullah, Asmullah Asnimawati Asnimawati, Asnimawati Aulia Putri, Devita Azhar, Pradana Chairy Azizah, Rismatul Azmul Fauzi, Andri Azura, Dini Azzahra Taramadina, Nabella Azzizatun Nisa, Nur Baiq Maylinda Gemantari Bambang Waluyo Batubara, Azizah Batubara, Maryam Bayu , Silvana Br Sitepu, Rehuliana Ninta Br. Ginting, Paschloudya Brigita, Vista Buchori Asyik Budiastuti, Susanti Cahaya, Khairiana Suci Cahya, Wahyuni Dwi Chairy Azhar, Pradana Citra Jayanti Daenila, Nurmala Dalilah, Nur Dalimunthe, Wirdah Sufa Zein Damayanti, Desty Tri Daniel Happy Putra Daulay, Roy Marito DAYU, Wulan Dede Abdul Fatah Defriani, Meriska Delnabila Dwi Olivia Dermawan, Rizky Devieta, Alviona Dewi Murni Dewi Nurmasari Pane Dewi, Rahmalia Dhimas Bagus Virgiawan Diamard Selia, Wena Dian Arifni, Esa dillah, Abdillah Dina , Risma Dina Natalia Dina, Risma Dizon, Carmela S. 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