Could SARS-CoV-2 spike protein be responsible for long-COVID syndrome?
TC Theoharides - Molecular Neurobiology, 2022 - Springer
SARS-CoV-2 infects cells via its spike protein binding to its surface receptor on target cells
and results in acute symptoms involving especially the lungs known as COVID-19. However …
and results in acute symptoms involving especially the lungs known as COVID-19. However …
[HTML][HTML] Allosteric binding sites of the SARS-CoV-2 main protease: potential targets for broad-spectrum anti-coronavirus agents
The current pandemic caused by the COVID-19 disease has reached everywhere in the
world and has affected every aspect of our lives. As of the current data, the World Health …
world and has affected every aspect of our lives. As of the current data, the World Health …
Promising SARS-CoV-2 main protease inhibitor ligand-binding modes evaluated using LB-PaCS-MD/FMO
Parallel cascade selection molecular dynamics-based ligand binding-path sampling (LB-
PaCS-MD) was combined with fragment molecular orbital (FMO) calculations to reveal the …
PaCS-MD) was combined with fragment molecular orbital (FMO) calculations to reveal the …
Commercially available flavonols are better SARS-CoV-2 inhibitors than isoflavone and flavones
OA Chaves, N Fintelman-Rodrigues, X Wang… - Viruses, 2022 - mdpi.com
Despite the fast development of vaccines, severe acute respiratory syndrome coronavirus 2
(SARS-CoV-2) is still circulating and generating variants of concern (VoC) that escape the …
(SARS-CoV-2) is still circulating and generating variants of concern (VoC) that escape the …
Green and efficient one-pot three-component synthesis of novel drug-like furo [2, 3-d] pyrimidines as potential active site inhibitors and putative allosteric hotspots …
In this paper, an environmentally benign, convenient, and efficient one-pot three-component
reaction has been developed for the regioselective synthesis of novel 5-aroyl (or …
reaction has been developed for the regioselective synthesis of novel 5-aroyl (or …
Plant flavonoid inhibition of SARS-CoV-2 main protease and viral replication
L Lin, DY Chen, C Scartelli, H **e, G Merrill-Skoloff… - Iscience, 2023 - cell.com
Plant-based flavonoids have been evaluated as inhibitors of β-coronavirus replication and
as therapies for COVID-19 on the basis of their safety profile and widespread availability …
as therapies for COVID-19 on the basis of their safety profile and widespread availability …
Quantitative in silico analysis of SARS-CoV-2 S-RBD omicron mutant transmissibility
T Hanai - Talanta, 2022 - Elsevier
Covid-19 variants transmissibility was quantitatively analyzed in silico to understand the
reaction mechanisms and to find the reaction inhibitors. Especially, SARS-CoV-2 omicron …
reaction mechanisms and to find the reaction inhibitors. Especially, SARS-CoV-2 omicron …
Design of potent inhibitors targeting the main protease of SARS-CoV-2 using QSAR modeling, molecular docking, and molecular dynamics simulations
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection is a serious
global public health threat. The evolving strains of SARS-CoV-2 have reduced the …
global public health threat. The evolving strains of SARS-CoV-2 have reduced the …
Inhibitory Activity of Flavonoid Scaffolds on SARS-CoV-2 3CLpro: Insights from the Computational and Experimental Investigations
N Khamto, K Utama, P Boontawee… - Journal of Chemical …, 2024 - ACS Publications
The emergence of the COVID-19 situation has become a global issue due to the lack of
effective antiviral drugs for treatment. Flavonoids are a class of plant secondary metabolites …
effective antiviral drugs for treatment. Flavonoids are a class of plant secondary metabolites …
Structure-Based Discovery of the SARS-CoV-2 Main Protease Noncovalent Inhibitors from Traditional Chinese Medicine
X **, M Zhang, B Fu, M Li, J Yang… - Journal of Chemical …, 2024 - ACS Publications
Traditional Chinese medicine (TCM) has been extensively employed for the treatment of
coronavirus disease 2019 (COVID-19) caused by severe acute respiratory syndrome …
coronavirus disease 2019 (COVID-19) caused by severe acute respiratory syndrome …