Virtual screening, molecular docking studies and DFT calculations of FDA approved compounds similar to the non-nucleoside reverse transcriptase inhibitor (NNRTI) …
MA Jordaan, O Ebenezer, N Damoyi, M Shapi - Heliyon, 2020 - cell.com
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) was confirmed as the
causative virus of COVID-19 disease, which is currently a worldwide pandemic. Efavirenz, a …
causative virus of COVID-19 disease, which is currently a worldwide pandemic. Efavirenz, a …
Investigation of Some Antiviral N-Heterocycles as COVID 19 Drug: Molecular Docking and DFT Calculations
The novel coronavirus, COVID-19, caused by SARS-CoV-2, is a global health pandemic that
started in December 2019. The effective drug target among coronaviruses is the main …
started in December 2019. The effective drug target among coronaviruses is the main …
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 …
Amentoflavone derivatives significantly act towards the main protease (3CLPRO/MPRO) of SARS-CoV-2: in silico admet profiling, molecular docking, molecular …
SARS-CoV-2 is the foremost culprit of the novel coronavirus disease 2019 (nCoV-19 and/or
simply COVID-19) and poses a threat to the continued life of humans on the planet and …
simply COVID-19) and poses a threat to the continued life of humans on the planet and …
In silico identification of potent COVID-19 main protease inhibitors from FDA approved antiviral compounds and active phytochemicals through molecular docking: a …
The Novel Coronavirus (COVID-19) is a positive-sense single-stranded RNA ((+) ssRNA)
virus. The COVID-19 Main Proteases play very important role in the propagation of the Novel …
virus. The COVID-19 Main Proteases play very important role in the propagation of the Novel …
[HTML][HTML] Combined docking methods and molecular dynamics to identify effective antiviral 2, 5-diaminobenzophenonederivatives against SARS-CoV-2
The aim of this work is to contribute to the research in finding lead compounds for clinical
use, to identify new drugs that target the SARS-CoV-2 virus main protease (Mpro). In this …
use, to identify new drugs that target the SARS-CoV-2 virus main protease (Mpro). In this …
[HTML][HTML] Raltegravir, Indinavir, Tipranavir, Dolutegravir, and Etravirine against main protease and RNA-dependent RNA polymerase of SARS-CoV-2: A molecular …
P Indu, MR Rameshkumar, N Arunagirinathan… - Journal of Infection and …, 2020 - Elsevier
Background Outbreak of COVID-19 has been recognized as a global health concern since it
causes high rates of morbidity and mortality. No specific antiviral drugs are available for the …
causes high rates of morbidity and mortality. No specific antiviral drugs are available for the …
In silico evaluation of prospective anti-COVID-19 drug candidates as potential SARS-CoV-2 main protease inhibitors
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is a recently emanating
human infectious coronavirus that causes COVID-19 disease. On 11th March 2020, it has …
human infectious coronavirus that causes COVID-19 disease. On 11th March 2020, it has …
Drug Repurposing to Identify Nilotinib as a Potential SARS-CoV-2 Main Protease Inhibitor: Insights from a Computational and In Vitro Study
COVID-19, an acute viral pneumonia, has emerged as a devastating pandemic. Drug
repurposing allows researchers to find different indications of FDA-approved or …
repurposing allows researchers to find different indications of FDA-approved or …
Discovery of New Hydroxyethylamine Analogs against 3CLpro Protein Target of SARS-CoV-2: Molecular Docking, Molecular Dynamics Simulation, and Structure …
The novel coronavirus, SARS-CoV-2, has caused a recent pandemic called COVID-19 and
a severe health threat around the world. In the current situation, the virus is rapidly …
a severe health threat around the world. In the current situation, the virus is rapidly …
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