Structural basis of potential inhibitors targeting SARS-CoV-2 main protease
The Coronavirus disease-19 (COVID-19) pandemic is still devastating the world causing
significant social, economic, and political chaos. Corresponding to the absence of globally …
significant social, economic, and political chaos. Corresponding to the absence of globally …
Repurposing drugs for the management of COVID-19
J Cusinato, Y Cau, AM Calvani… - Expert opinion on …, 2021 - Taylor & Francis
Introduction: The coronavirus disease 2019 (COVID-19) caused by SARS-CoV-2 represents
a serious health issue worldwide, with more than 61 million cases and more than 1.4 million …
a serious health issue worldwide, with more than 61 million cases and more than 1.4 million …
Methodology-centered review of molecular modeling, simulation, and prediction of SARS-CoV-2
Despite tremendous efforts in the past two years, our understanding of severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …
[HTML][HTML] An overview of potential inhibitors targeting non-structural proteins 3 (PLpro and Mac1) and 5 (3CLpro/Mpro) of SARS-CoV-2
F Yan, F Gao - Computational and structural biotechnology journal, 2021 - Elsevier
There is an urgent need to develop effective treatments for coronavirus disease 2019
(COVID-19), which is caused by severe acute respiratory syndrome coronavirus 2 (SARS …
(COVID-19), which is caused by severe acute respiratory syndrome coronavirus 2 (SARS …
Computer aided identification of potential SARS CoV-2 main protease inhibitors from diterpenoids and biflavonoids of Torreya nucifera leaves
SARS CoV-2 is the causative agent of the pandemic disease COVID-19. There is an urgent
need for effective drugs or vaccines which can effectively combat this outbreak. The main …
need for effective drugs or vaccines which can effectively combat this outbreak. The main …
Docking covalent targets for drug discovery: stimulating the computer-aided drug design community of possible pitfalls and erroneous practices
The continuous approval of covalent drugs in recent years for the treatment of diseases has
led to an increased search for covalent agents by medicinal chemists and computational …
led to an increased search for covalent agents by medicinal chemists and computational …
Molecular docking as a potential approach in repurposing drugs against COVID-19: A systematic review and novel pharmacophore models
M Fadlalla, M Ahmed, M Ali, AA Elshiekh… - Current Pharmacology …, 2022 - Springer
Abstract Purpose of Review This article provides a review of the recent literature related to
the FDA-approved drugs that had been repurposed as potential drug candidates against …
the FDA-approved drugs that had been repurposed as potential drug candidates against …
Phytochemical rich Himalayan Rhododendron arboreum petals inhibit SARS-CoV-2 infection in vitro
Phytochemicals with potential to competitively bind to the host receptors or inhibit SARS-
CoV-2 replication, may prove to be useful as adjunct therapeutics for COVID-19. We profiled …
CoV-2 replication, may prove to be useful as adjunct therapeutics for COVID-19. We profiled …
A survey on computational methods in discovering protein inhibitors of SARS-CoV-2
The outbreak of acute respiratory disease in 2019, namely Coronavirus Disease-2019
(COVID-19), has become an unprecedented healthcare crisis. To mitigate the pandemic …
(COVID-19), has become an unprecedented healthcare crisis. To mitigate the pandemic …
SARS-CoV-2 entry inhibitors by dual targeting TMPRSS2 and ACE2: An in silico drug repurposing study
Abstract The coronavirus disease (COVID-19) is spreading between human populations
mainly through nasal droplets. Currently, the vaccines have great hope, but it takes years for …
mainly through nasal droplets. Currently, the vaccines have great hope, but it takes years for …