Virtual screening and in vitro validation of natural compound inhibitors against SARS-CoV-2 spike protein
The COVID-19 pandemic caused by the SARS-CoV-2 virus has led to a major public health
burden and has resulted in millions of deaths worldwide. As effective treatments are limited …
burden and has resulted in millions of deaths worldwide. As effective treatments are limited …
Identification of potential natural inhibitors of the receptor-binding domain of the SARS-CoV-2 spike protein using a computational docking approach
SM Mathew, F Benslimane, AA Althani… - Qatar medical …, 2021 - qscience.com
Background: The novel severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is
the only zoonotic-origin CoV to reach the pandemic stage, to which neither an effective …
the only zoonotic-origin CoV to reach the pandemic stage, to which neither an effective …
[HTML][HTML] Structure-based virtual screening and molecular dynamics simulation to identify potential SARS-CoV-2 spike receptor inhibitors from natural compound …
The outbreak of respiratory disease, COVID-19 caused by SARS-CoV-2 has now been
spread globally and the number of new infections is rising every moment. There are no …
spread globally and the number of new infections is rising every moment. There are no …
Natural products database screening for the discovery of naturally occurring SARS‐Cov‐2 spike glycoprotein blockers
SARS‐CoV‐2 coronavirus has been recognized the causative agent of the recent and
ongoing pandemic. Effective and specific antiviral agents or vaccines are still missing …
ongoing pandemic. Effective and specific antiviral agents or vaccines are still missing …
[HTML][HTML] Identification of new pharmacophore against SARS-CoV-2 spike protein by multi-fold computational and biochemical techniques
COVID-19 appeared as a highly contagious disease after its outbreak in December 2019 by
the virus, named SARS-CoV-2. The threat, which originated in Wuhan, China, swiftly …
the virus, named SARS-CoV-2. The threat, which originated in Wuhan, China, swiftly …
Neutralization of SARS-CoV-2 spike protein via natural compounds: A multilayered high throughput virtual screening approach
A Dhasmana, VK Kashyap, S Dhasmana… - Current …, 2020 - ingentaconnect.com
Background: Previously human society has faced various unprecedented pandemics in the
history and viruses have majorly held the responsibilities of those outbreaks. Furthermore …
history and viruses have majorly held the responsibilities of those outbreaks. Furthermore …
[HTML][HTML] Discovery of small-molecule inhibitors of SARS-CoV-2 proteins using a computational and experimental pipeline
EY Lau, OA Negrete, WFD Bennett… - Frontiers in Molecular …, 2021 - frontiersin.org
A rapid response is necessary to contain emergent biological outbreaks before they can
become pandemics. The novel coronavirus (SARS-CoV-2) that causes COVID-19 was first …
become pandemics. The novel coronavirus (SARS-CoV-2) that causes COVID-19 was first …
[HTML][HTML] Unlocking COVID therapeutic targets: A structure-based rationale against SARS-CoV-2, SARS-CoV and MERS-CoV Spike
J Trigueiro-Louro, V Correia, I Figueiredo-Nunes… - Computational and …, 2020 - Elsevier
There are no approved target therapeutics against SARS-CoV-2 or other beta-CoVs. The
beta-CoV Spike protein is a promising target considering the critical role in viral infection …
beta-CoV Spike protein is a promising target considering the critical role in viral infection …
Discovery of potent SARS-CoV-2 inhibitors from approved antiviral drugs via docking and virtual screening
Background: Coronavirus Disease 2019 (COVID-19) pandemic continues to threaten
patients, societies and healthcare systems around the world. There is an urgent need to …
patients, societies and healthcare systems around the world. There is an urgent need to …
[HTML][HTML] Virtual screening of repurposed drugs as potential spike protein inhibitors of different SARS-CoV-2 variants: Molecular Docking Study
Like most of the RNA viruses, SARS-CoV-2 continuously mutates. Although many mutations
have an insignificant impact on the virus properties, mutations in the surface protein …
have an insignificant impact on the virus properties, mutations in the surface protein …