Virtual screening of bioactive anti-SARS-CoV natural products and identification of 3β,12-diacetoxyabieta-6,8,11,13-tetraene as a potential inhibitor of SARS-CoV-2 virus and its infection related pathways by MD simulation and network pharmacology

• Main Authors: Huq, A.K.M. Moyeenul, Roney, Miah, Syahrul, Imran, Khan, Shafi Ullah, Uddin, Md. Nazim, Htar, Thet Thet, Baig, Atif Amin, Bhuiyan, Mohiuddin Ahmed, Zainul Amiruddin, Zakaria, Mohd Fadhlizil Fasihi, Mohd Aluwi, Saiful Nizam, Tajuddin
• Format: Article
• Language: English; English
• Published: Taylor & Francis 2023
• Subjects: HD Industries. Land use. Labor; RA Public aspects of medicine
• Online Access: http://umpir.ump.edu.my/id/eprint/41746/1/Virtual%20screening%20of%20bioactive%20anti-SARS-CoV%20natural%20products%20and%20identification%20of%203%CE%B2%2C12-diacetoxyabieta-6%2C8%2C11%2C13-tetraene%20as%20a%20potential%20inhibitor%20of%20SARS-CoV-2%20virus.pdf; http://umpir.ump.edu.my/id/eprint/41746/2/Virtual%20screening%20of%20bioactive%20anti-SARS-CoV%20natural%20products%20and%20identification%20of%203%CE%B2%2C12-diacetoxyabieta-6%2C8%2C11%2C13-tetraene%20as%20a%20potential%20inhibitor%20of%20SARS-CoV-2%20virus%20and%20its%20infection%20related%20pathways%20by%20MD%20simula.pdf; http://umpir.ump.edu.my/id/eprint/41746/; https://doi.org/10.1080/07391102.2023.2176926

Since the first prevalence of COVID-19 in 2019, it still remains the most devastating pandemic throughout the world. The current research aimed to find potential natural products to inhibit the novel coronavirus and associated infection by MD simulation and network pharmacology approach. Molecular d...