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Syamsul Falah
Departemen Biokimia, Fakultas Matematika Dan IPA, IPB
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Journal : Menara Perkebunan

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In silico study: molecular docking of SARS-Cov-2 endoribonuclease on active compounds of Gmelina arborea Roxb. bark Shobiroh Nuur'Alimah; Agnia Nurul Jannati; Laksmi Ambarsari; Syamsul Falah
Menara Perkebunan Vol. 92 No. 1 (2024): 92(1), 2024
Publisher : INDONESIAN OIL PALM RESEARCH INSTITUTE

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22302/iribb.jur.mp.v92i1.561

Abstract

Infection by SARS-CoV-2 (severe acute respiratory syndrome coronavirus 2) triggers COVID-19 disease of the respiratory tract similar to pneumonia. The virus encodes four structural proteins and 16 non-structural proteins (nsp), one of which includes nsp15 or endoribonuclease (NendoU). NendoU plays an important role in viral replication and transcription and reduces the stimulation of immune cell responses. Active compounds in Gmelina arborea Roxb. bark have antioxidant properties that can inhibit the NendoU activity of SARS-CoV-2. This study aims to analyze the potential of compounds from Gmelina arborea Roxb. bark in inhibiting SARS-CoV-2 NendoU within in silico using the YASARA structure application. Balnophonin is the best test ligand based on binding ΔG value, dissociation constant (Kd), prediction of physicochemical characteristics, pharmacokinetics, and toxicity. Therefore, balanophonin can be developed as an effective alternative drug to inhibit SARS CoV-2 NendoU.
Co-Authors , Triadiati Achmad . Achmad Achmad Agnia Nurul Jannati Agus Setiawan Agus Wibowo Aji Winara Aji Winara Ambarsavitri, Rahmadhani Ani Sulistiyani Arif Rakhman AYU LESTARI Azmi Azhari Azmi Azhari, Azmi Brilyan Yudha Pratama Budi Martono Dede Misbahul Alam Desi Nurafida Desi Sommaliagustina Desriani Desriani DIMAS ANDRIANTO Dwi Endah Kusumawati Dwicesaria, Maheswari Alfira Ekajayanti Kining Eneng Nurlaela Faizal, Enceng Arif Fitriana S Monisa Gumelar, Dian Rachmat Hasana, Nurul Hasim Hasim Hudayanti, Martini I Gusti Agung Komang Diafari Djuni Hartawan I MADE ARTIKA Jaka, Aris Tri Kapitan, Origenes Boy Khalimatus Sadiah Khodijah Khodijah L M. Alfin Agushara Bena Laita Nurjanah Laita Nurjanah, Laita Laita Nurjannah Laita Nurjannah, Laita LAKSMI AMBARSARI Latifah K Darusman Lia Kusuma Dewi Livia Rhea Alvita MARIA BINTANG Marwanto, Yoga Dwi Maulana Hasanudin Mega Safithri Melati Devina Gustini Wirastuti Moh. Wifaqul Idaini Muhammad Assyar Muhammad Duror An Nashich Mustopa Mustopa Nandang Najmudin Neneng Hasanah Ni’mah, Naily Fitrotun Noora Qotrun Nada, Noora Qotrun Novik Nurhidayat Novik Nurhidayat Novilia Eka Syafitri Nuur’Alimah, Shobiroh Padma, Zahara Dwi Pelita, Bobang Noorisnan Perkasa Arian Pratama, Arkan Nandia Pratiwi, Anggita Aziz Purwanto, Ukhradiya Magharaniq Safira Putra, Nauval Dwi Anugrah Rahman, Syabilla Aulia Rahmania, Fitriani Jati Rakhman, Itmam Aulia Rendra Seftian Hadiwiharja Resti Wahyuni Resti Wahyuni Ria Candra Dewi Rini Kurniasih, Rini Rini Novita Riska Ariyanti, Riska Robiatul Adawiyah Rori Theresia Rosyidah, Rara Annisaur Saebani, Beni Ahmad Safira Purwanto, Ukhradiya Magharaniq Sanro Tachibana Setriani, Sofia Shobiroh Nuur'Alimah Siagian, Amita Stefani Dhale Rale Sulistiyani Sulistiyani Supriyanto, Hadi Suryani Suryani Suryani Suryani Suryani Suryani Susetyo Bagas Bhaskoro Syaefudin Syaripudin, Dadang Takeshi Katayama Theresia, Rori Tien Lastini Toshisada Suzuki Tusadiah, Alima Umul Karimah Waras Nurcholis Wiwit Amrinola Yogi Nur Anggowo Zaki Mubarok, Zaki Zuraida Zuraida