Rapid identification of potential inhibitors of SARS‐CoV‐2 main protease by deep docking of 1.3 billion compounds
Abstract The recently emerged 2019 Novel Coronavirus (SARS‐CoV‐2) and associated
COVID‐19 disease cause serious or even fatal respiratory tract infection and yet no …
COVID‐19 disease cause serious or even fatal respiratory tract infection and yet no …
[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 …
Repurposing of FDA‐approved drugs against active site and potential allosteric drug‐binding sites of COVID‐19 main protease
The novel coronavirus disease 2019 (COVID‐19) caused by severe acute respiratory
syndrome coronavirus 2 (SARS‐CoV‐2) still has serious negative effects on health, social …
syndrome coronavirus 2 (SARS‐CoV‐2) still has serious negative effects on health, social …
[HTML][HTML] Identification of natural compounds as potent inhibitors of SARS-CoV-2 main protease using combined docking and molecular dynamics simulations
DS Jairajpuri, A Hussain, K Nasreen… - Saudi Journal of …, 2021 - Elsevier
Abstract Coronavirus disease 2019 (COVID-19) has emerged from China and globally
affected the entire population through the human-to-human transmission of a newly …
affected the entire population through the human-to-human transmission of a newly …
Structure-based virtual screening to discover potential lead molecules for the SARS-CoV-2 main protease
The COVID-19 disease is caused by a new strain of the coronavirus family (SARS-CoV-2),
and it has affected at present millions of people all over the world. The indispensable role of …
and it has affected at present millions of people all over the world. The indispensable role of …
Virtual screening of approved drugs as potential SARS-CoV-2 main protease inhibitors
A Jimenez-Alberto, RM Ribas-Aparicio… - … biology and chemistry, 2020 - Elsevier
The global emergency caused by COVID-19 makes the discovery of drugs capable of
inhibiting SARS-CoV-2 a priority, to reduce the mortality and morbidity of this disease …
inhibiting SARS-CoV-2 a priority, to reduce the mortality and morbidity of this disease …
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 …
Molecular docking studies, molecular dynamics and ADME/tox reveal therapeutic potentials of STOCK1N-69160 against papain-like protease of SARS-CoV-2
SARS-CoV-2 is a new strain of Coronavirus that caused the pneumonia outbreak in Wuhan,
China and has spread to over 200 countries of the world. It has received worldwide attention …
China and has spread to over 200 countries of the world. It has received worldwide attention …
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 …
Repurposing of FDA-approved drugs as potential inhibitors of the SARS-CoV-2 main protease: Molecular insights into improved therapeutic discovery
With numerous infections and fatalities, COVID-19 has wreaked havoc around the globe.
The main protease (Mpro), which cleaves the polyprotein to form non-structural proteins …
The main protease (Mpro), which cleaves the polyprotein to form non-structural proteins …
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