scholarly journals Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity

2021 ◽  
Author(s):  
Chunlong Ma ◽  
Zilei Xia ◽  
Michael Dominic Sacco ◽  
Yanmei Hu ◽  
Julia Alma Townsend ◽  
...  
Keyword(s):  
Protease Inhibitors ◽  
Target Specificity ◽  
Main Protease

scholarly journals Bacillus species; a potential source of anti-SARS-CoV-2 main protease inhibitors

2021 ◽  
pp. 1-11
Author(s):  
Sadia Alam ◽  
Shahida Sadiqi ◽  
Maimoona Sabir ◽  
Sobia Nisa ◽  
Sajjad Ahmad ◽  
...  
Keyword(s):  
Protease Inhibitors ◽  
Bacillus Species ◽  
Potential Source ◽  
Main Protease

scholarly journals Repurposing of renin inhibitors as SARS-COV-2 main protease inhibitors: A computational study

Virology ◽  
2021 ◽  
Vol 554 ◽  
pp. 48-54
Author(s):  
Rana H. Refaey ◽  
Mohamed K. El-Ashrey ◽  
Yassin M. Nissan
Keyword(s):  
Protease Inhibitors ◽  
Computational Study ◽  
Renin Inhibitors ◽  
Main Protease

scholarly journals From genomes to molecular dynamics – A bottom up approach in extrication of SARS CoV-2 main protease inhibitors

2021 ◽  
Vol 18 ◽  
pp. 100156
Author(s):  
S. Aishwarya ◽  
K. Gunasekaran ◽  
R. Sagaya Jansi ◽  
G. Sangeetha
Keyword(s):  
Molecular Dynamics ◽  
Protease Inhibitors ◽  
Bottom Up ◽  
Main Protease

scholarly journals Expedited Approach toward the Rational Design of Noncovalent SARS-CoV-2 Main Protease Inhibitors

2021 ◽  
Author(s):  
Naoya Kitamura ◽  
Michael Dominic Sacco ◽  
Chunlong Ma ◽  
Yanmei Hu ◽  
Julia Alma Townsend ◽  
...  
Keyword(s):  
Protease Inhibitors ◽  
Rational Design ◽  
Main Protease

scholarly journals Fragment‐based in silico design of SARS CoV‐2 main protease inhibitors

2021 ◽  
Author(s):  
Sarfraz Ahmad ◽  
Muhammad Usman Mirza ◽  
Yean Kee Lee ◽  
Mamoona Nazir ◽  
Noorsaadah Abdul Rahman ◽  
...  
Keyword(s):  
Protease Inhibitors ◽  
In Silico ◽  
In Silico Design ◽  
Main Protease

scholarly journals Drug Repurposing for Candidate SARS-CoV-2 Main Protease Inhibitors by a Novel in Silico Method

2020 ◽  
Author(s):  
Milan Sencanski ◽  
Vladimir Perovic ◽  
Snezana Pajovic ◽  
Miroslav Adzic ◽  
Slobodan Paessler ◽  
...  
Keyword(s):  
Protease Inhibitors ◽  
In Silico ◽  
Drug Target ◽  
Transmission Rate ◽  
Experimental Testing ◽  
Drug Repurposing ◽  
Global Public Health ◽  
Main Protease ◽  
Additional Approach ◽  
Drugbank Database

<p>The SARS-CoV-2 outbreak caused an unprecedented global public health threat, having a high transmission rate with currently no drugs or vaccines approved. An alternative powerful additional approach to counteract COVID-19 is <em>in silico</em> drug repurposing. The SARS-CoV-2 main protease is essential for viral replication and an attractive drug target. In this study, we used the virtual screening (VS) protocol with both long-range and short-range interactions to select candidate SARS-CoV-2 main protease inhibitors. First, the ISM applied for Small Molecules was used for searching the Drugbank database and further followed by molecular docking. After <em>in silico</em> screening of drug space, we identified 57 drugs as potential SARS-CoV-2 main protease inhibitors that we propose for further experimental testing.</p>

scholarly journals Fenoterol and dobutamine as SARS-CoV-2 main protease inhibitors: A virtual screening study

2020 ◽  
pp. 129449
Author(s):  
Kayhan Bolelli ◽  
Tugba Ertan-Bolelli ◽  
Ozan Unsalan ◽  
Cisem Altunayar-Unsalan
Keyword(s):  
Virtual Screening ◽  
Protease Inhibitors ◽  
Main Protease ◽  
Screening Study
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