SARS-CoV-2 Mpro: A Potential Target for Peptidomimetics and Small-Molecule Inhibitors
The uncontrolled spread of the COVID-19 pandemic caused by the new coronavirus SARS-
CoV-2 during 2020–2021 is one of the most devastating events in the history, with …
CoV-2 during 2020–2021 is one of the most devastating events in the history, with …
Hypericin: A natural anthraquinone as promising therapeutic agent
JJ Wu, J Zhang, CY **a, K Ding, XX Li, XG Pan, JK Xu… - Phytomedicine, 2023 - Elsevier
Background: Hypericin is a prominent secondary metabolite mainly existing in genus
Hypericum. It has become a research focus for a quiet long time owing to its extensively …
Hypericum. It has become a research focus for a quiet long time owing to its extensively …
Identification of Small Molecule Inhibitors of the Deubiquitinating Activity of the SARS-CoV-2 Papain-Like Protease: in silico Molecular Docking Studies and in vitro …
COVID-19 is an ongoing pandemic caused by the SARS-CoV-2 virus with important political,
socio-economic, and public health consequences. Inhibiting replication represents an …
socio-economic, and public health consequences. Inhibiting replication represents an …
In silico and in vitro identification of pan-coronaviral main protease inhibitors from a large natural product library
The main protease (Mpro or 3CLpro) in coronaviruses represents a promising specific drug
target as it is essential for the cleavage of the virus polypeptide and has a unique cleavage …
target as it is essential for the cleavage of the virus polypeptide and has a unique cleavage …
Molecular interactions of tannic acid with proteins associated with SARS-CoV-2 infectivity
The overall impact of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) on
our society is unprecedented. The identification of small natural ligands that could prevent …
our society is unprecedented. The identification of small natural ligands that could prevent …
Deciphering the binding mechanism of inhibitors of the SARS-CoV-2 main protease through multiple replica accelerated molecular dynamics simulations and free …
M Li, X Liu, S Zhang, S Liang, Q Zhang… - Physical Chemistry …, 2022 - pubs.rsc.org
The pneumonia outbreak caused by the SARS-CoV-2 virus poses a serious threat to human
health and the world economy. The development of safe and highly effective antiviral drugs …
health and the world economy. The development of safe and highly effective antiviral drugs …
Interaction of small molecules with the SARS-CoV-2 papain-like protease: In silico studies and in vitro validation of protease activity inhibition using an enzymatic …
The SARS-CoV-2 virus is causing COVID-19, an ongoing pandemic, with extraordinary
global health, social, and political implications. Currently, extensive research and …
global health, social, and political implications. Currently, extensive research and …
Phytochemicals for the treatment of COVID-19
Abstract The coronavirus disease 2019 (COVID-19) pandemic has underscored the lack of
approved drugs against acute viral diseases. Plants are considered inexhaustible sources of …
approved drugs against acute viral diseases. Plants are considered inexhaustible sources of …
Speed vs accuracy: effect on ligand pose accuracy of varying box size and exhaustiveness in AutoDock vina
Abstract Structure‐based virtual high‐throughput screening involves docking chemical
libraries to targets of interest. A parameter pertinent to the accuracy of the resulting pose is …
libraries to targets of interest. A parameter pertinent to the accuracy of the resulting pose is …
[HTML][HTML] In-silico investigation of phenolic compounds from leaves of Phillyrea angustifolia L. as a potential inhibitor against the SARS-CoV-2 main protease (Mpro …
There is currently a global COVID-19 pandemic caused by the severe acute respiratory
syndrome Coronavirus-2 (SARS-CoV-2) and its variants. This highly contagious viral …
syndrome Coronavirus-2 (SARS-CoV-2) and its variants. This highly contagious viral …