Targeting SARS-CoV-2 main protease for treatment of COVID-19: covalent inhibitors structure–activity relationship insights and evolution perspectives
The viral main protease is one of the most attractive targets among all key enzymes involved
in the SARS-CoV-2 life cycle. Covalent inhibition of the cysteine145 of SARS-CoV-2 MPRO …
in the SARS-CoV-2 life cycle. Covalent inhibition of the cysteine145 of SARS-CoV-2 MPRO …
Development of de-novo coronavirus 3-chymotrypsin-like protease (3CLpro) inhibitors since COVID-19 outbreak: A strategy to tackle challenges of persistent virus …
L Tian, T Qiang, X Yang, Y Gao, X Zhai, K Kang… - European Journal of …, 2024 - Elsevier
Although no longer a public health emergency of international concern, COVID-19 remains
a persistent and critical health concern. The development of effective antiviral drugs could …
a persistent and critical health concern. The development of effective antiviral drugs could …
Comprehensive fitness landscape of SARS-CoV-2 Mpro reveals insights into viral resistance mechanisms
With the continual evolution of new strains of severe acute respiratory syndrome coronavirus-
2 (SARS-CoV-2) that are more virulent, transmissible, and able to evade current vaccines …
2 (SARS-CoV-2) that are more virulent, transmissible, and able to evade current vaccines …
Genetic Surveillance of SARS-CoV-2 Mpro Reveals High Sequence and Structural Conservation Prior to the Introduction of Protease Inhibitor Paxlovid
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) continues to represent a
global health emergency as a highly transmissible, airborne virus. An important coronaviral …
global health emergency as a highly transmissible, airborne virus. An important coronaviral …
Discovery of SARS-CoV-2 M pro peptide inhibitors from modelling substrate and ligand binding
The main protease (Mpro) of SARS-CoV-2 is central to viral maturation and is a promising
drug target, but little is known about structural aspects of how it binds to its 11 natural …
drug target, but little is known about structural aspects of how it binds to its 11 natural …
Functional map of SARS-CoV-2 3CL protease reveals tolerant and immutable sites
Summary The SARS-CoV-2 3CL protease (3CL pro) is an attractive therapeutic target, as it
is essential to the virus and highly conserved among coronaviruses. However, our current …
is essential to the virus and highly conserved among coronaviruses. However, our current …
Dynamical nonequilibrium molecular dynamics simulations identify allosteric sites and positions associated with drug resistance in the SARS-CoV-2 main protease
The SARS-CoV-2 main protease (Mpro) plays an essential role in the coronavirus lifecycle
by catalyzing hydrolysis of the viral polyproteins at specific sites. Mpro is the target of drugs …
by catalyzing hydrolysis of the viral polyproteins at specific sites. Mpro is the target of drugs …
Covalent small-molecule inhibitors of SARS-CoV-2 Mpro: insights into their design, classification, Biological Activity, and binding interactions
Since 2020, many compounds have been investigated for their potential use in the treatment
of SARS-CoV-2 infection. Among these agents, a huge number of natural products and FDA …
of SARS-CoV-2 infection. Among these agents, a huge number of natural products and FDA …
Conserved coronavirus proteins as targets of broad-spectrum antivirals
Coronaviruses are a class of single-stranded, positive-sense RNA viruses that have caused
three major outbreaks over the past two decades: Middle East respiratory syndrome–related …
three major outbreaks over the past two decades: Middle East respiratory syndrome–related …
Analyzing 3D structures of the SARS-CoV-2 main protease reveals structural features of ligand binding for COVID-19 drug discovery
The severe acute respiratory syndrome-coronavirus 2 (SARS-CoV-2) main protease has an
essential role in viral replication and has become a major target for coronavirus 2019 …
essential role in viral replication and has become a major target for coronavirus 2019 …