Assessment of effective imidazole derivatives against SARS-CoV-2 main protease through computational approach
A Belhassan, F En-Nahli, H Zaki, T Lakhlifi… - Life Sciences, 2020 - Elsevier
Because of the fast increase in deaths due to Corona Viral Infection in majority region in the
world, the detection of drugs potent of this infection is a major need. With this idea, docking …
world, the detection of drugs potent of this infection is a major need. With this idea, docking …
The inhibitory effect of some natural bioactive compounds against SARS-CoV-2 main protease: insights from molecular docking analysis and molecular dynamic …
DA Abdelrheem, SA Ahmed… - … Science and Health …, 2020 - Taylor & Francis
This work aimed at evaluating the inhibitory effect of ten natural bioactive compounds (1–10)
as potential inhibitors of SARS-CoV-2-3CL main protease (PDB ID: 6LU7) and SARS-CoV …
as potential inhibitors of SARS-CoV-2-3CL main protease (PDB ID: 6LU7) and SARS-CoV …
[HTML][HTML] Computational investigations of three main drugs and their comparison with synthesized compounds as potent inhibitors of SARS-CoV-2 main protease (Mpro …
RK Mohapatra, L Perekhoda, M Azam… - Journal of King Saud …, 2021 - Elsevier
In this study, we examined five previously synthesized compounds and checked their
binding affinity towards the SARS-CoV-2 main protease (M pro) by molecular docking study …
binding affinity towards the SARS-CoV-2 main protease (M pro) by molecular docking study …
An in-silico evaluation of COVID-19 main protease with clinically approved drugs
W Tachoua, M Kabrine, M Mushtaq, Z Ul-Haq - Journal of molecular …, 2020 - Elsevier
A novel strain of coronavirus, namely, SARS-CoV-2 identified in Wuhan city of China in
December 2019, continues to spread at a rapid rate worldwide. There are no specific …
December 2019, continues to spread at a rapid rate worldwide. There are no specific …
An in silico approach for identification of novel inhibitors as potential therapeutics targeting COVID-19 main protease
B Havranek, SM Islam - Journal of Biomolecular Structure and …, 2021 - Taylor & Francis
Respiratory disease caused by a novel coronavirus, COVID-19, has been labeled a
pandemic by the World Health Organization. Very little is known about the infection …
pandemic by the World Health Organization. Very little is known about the infection …
Molecular docking, binding mode analysis, molecular dynamics, and prediction of ADMET/toxicity properties of selective potential antiviral agents against SARS-CoV …
The importance of the main protease (M pro) enzyme of SARS-CoV-2 in the digestion of viral
polyproteins introduces M pro as an attractive drug target for antiviral drug design. This study …
polyproteins introduces M pro as an attractive drug target for antiviral drug design. This study …
Rapid prediction of possible inhibitors for SARS-CoV-2 main protease using docking and FPL simulations
Originating for the first time in Wuhan, China, the outbreak of SARS-CoV-2 has caused a
serious global health issue. An effective treatment for SARS-CoV-2 is still unavailable …
serious global health issue. An effective treatment for SARS-CoV-2 is still unavailable …
[HTML][HTML] Repurposing of known anti-virals as potential inhibitors for SARS-CoV-2 main protease using molecular docking analysis
M Hakmi, EM Bouricha, I Kandoussi, J El Harti… - …, 2020 - ncbi.nlm.nih.gov
The new SARS-CoV-2 coronavirus is the causative agent of the COVID-19 pandemic
outbreak that affected more than 190 countries worldwide with more than 292,000 confirmed …
outbreak that affected more than 190 countries worldwide with more than 292,000 confirmed …
An investigation into the identification of potential inhibitors of SARS-CoV-2 main protease using molecular docking study
A new strain of a novel infectious disease affecting millions of people, caused by severe
acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has recently been declared as a …
acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has recently been declared as a …
De novo design of novel protease inhibitor candidates in the treatment of SARS-CoV-2 using deep learning, docking, and molecular dynamic simulations
AH Arshia, S Shadravan, A Solhjoo… - Computers in Biology …, 2021 - Elsevier
The main protease of SARS-CoV-2 is a critical target for the design and development of
antiviral drugs. 2.5 M compounds were used in this study to train an LSTM generative …
antiviral drugs. 2.5 M compounds were used in this study to train an LSTM generative …