Repurposing of FDA‐approved drugs against active site and potential allosteric drug‐binding sites of COVID‐19 main protease
The novel coronavirus disease 2019 (COVID‐19) caused by severe acute respiratory
syndrome coronavirus 2 (SARS‐CoV‐2) still has serious negative effects on health, social …
syndrome coronavirus 2 (SARS‐CoV‐2) still has serious negative effects on health, social …
Exploring Druggable Binding Sites on the Class A GPCRs Using the Residue Interaction Network and Site Identification by Ligand Competitive Saturation
G protein-coupled receptors (GPCRs) play a central role in cellular signaling and are linked
to many diseases. Accordingly, computational methods to explore potential allosteric sites …
to many diseases. Accordingly, computational methods to explore potential allosteric sites …
Identifying and Assessing Putative Allosteric Sites and Modulators for CXCR4 Predicted through Network Modeling and Site Identification by Ligand Competitive …
The chemokine receptor CXCR4 is a critical target for the treatment of several cancer types
and HIV-1 infections. While orthosteric and allosteric modulators have been developed …
and HIV-1 infections. While orthosteric and allosteric modulators have been developed …
Potential allosteric sites captured in glycolytic enzymes via residue-based network models: Phosphofructokinase, glyceraldehyde-3-phosphate dehydrogenase and …
Likelihood of new allosteric sites for glycolytic enzymes, phosphofructokinase (PFK),
glyceraldehyde-3-phosphate dehydrogenase (GADPH) and pyruvate kinase (PK) was …
glyceraldehyde-3-phosphate dehydrogenase (GADPH) and pyruvate kinase (PK) was …
Organic nanoelectronics inside us: charge transport and localization in RNA could orchestrate ribosome operation
A Sosorev, O Kharlanov - Physical Chemistry Chemical Physics, 2021 - pubs.rsc.org
Translation–protein synthesis at the ribonucleic acid (RNA) based molecular machine, the
ribosome,–proceeds in a similar manner in all life forms. However, despite several decades …
ribosome,–proceeds in a similar manner in all life forms. However, despite several decades …
Modeling the ribosome as a bipartite graph
LE Calvet - Plos one, 2022 - journals.plos.org
Developing mathematical representations of biological systems that can allow predictions is
a challenging and important research goal. It is demonstrated here how the ribosome, the …
a challenging and important research goal. It is demonstrated here how the ribosome, the …
Walking around Ribosomal Small Subunit: A Possible “Tourist Map” for Electron Holes
AY Sosorev - Molecules, 2021 - mdpi.com
Despite several decades of research, the physics underlying translation—protein synthesis
at the ribosome—remains poorly studied. For instance, the mechanism coordinating various …
at the ribosome—remains poorly studied. For instance, the mechanism coordinating various …
Tunnel-like region observed as a potential allosteric site in Staphylococcus aureus Glyceraldehyde-3-phosphate dehydrogenase
Abstract Glyceraldehyde 3-phosphate dehydrogenase (GAPDH) catalyzing the sixth step of
glycolysis has been investigated for allosteric features that might be used as potential target …
glycolysis has been investigated for allosteric features that might be used as potential target …
Exploring species-specific inhibitors with multiple target sites on S. aureus pyruvate kinase using a computational workflow
Experimental evidence indicated that bacterial pyruvate kinase of glycolysis can be
evaluated as an alternative target to eliminate infections, while antibiotic resistance poses a …
evaluated as an alternative target to eliminate infections, while antibiotic resistance poses a …
Network theory of the bacterial ribosome
LE Calvet, S Matviienko, P Ducluzaux - Plos one, 2020 - journals.plos.org
In the past two decades, research into the biochemical, biophysical and structural properties
of the ribosome have revealed many different steps of protein translation. Nevertheless, a …
of the ribosome have revealed many different steps of protein translation. Nevertheless, a …