Setayesh Yazdani
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View article: The SARS-CoV-2 replication-transcription complex is a priority target for broad-spectrum pan-coronavirus drugs
The SARS-CoV-2 replication-transcription complex is a priority target for broad-spectrum pan-coronavirus drugs Open
In the absence of effective treatment, COVID-19 is likely to remain a global disease burden. Compounding this threat is the near certainty that novel coronaviruses with pandemic potential will emerge in years to come. Pan-coronavirus drugs…
View article: Structure, Mechanism and Crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase
Structure, Mechanism and Crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase Open
The global COVID-19 pandemic is caused by the SARS-CoV-2 virus and has infected over 100 million and caused over 2 million fatalities worldwide at the point of writing. There is currently a lack of effective drugs to treat people infected …
View article: Genetic Variability at the ADP Ribose Binding Site of SARS-CoV-2 Macrodomain and Predicting Its Effects on ADP Ribose Binding
Genetic Variability at the ADP Ribose Binding Site of SARS-CoV-2 Macrodomain and Predicting Its Effects on ADP Ribose Binding Open
In this report, I will explain how we identified the ADP ribose (ADPr) binding site of Mac1 and its druggability measure, and list the residues lining that site. Then I will present diversity dendrograms of UniProt entries of Alpha- and Be…
View article: Genetic Variability at the Catalytic Site of the Papain-like Protease and the Predicted Effects of Mutations on the binding of the Inhibitor VIR251
Genetic Variability at the Catalytic Site of the Papain-like Protease and the Predicted Effects of Mutations on the binding of the Inhibitor VIR251 Open
This document outlines the method for finding the catalytic pocket of SARS-CoV-2 papain-like protease and assessing its genetic variability across coronaviruses and more than 15,000 SARS-CoV-2 samples.
View article: Genetic variability at the catalytic site of the SARS-CoV-2 RNA MTase NSP16 and the predicted effects of mutations on SAM and RNA binding
Genetic variability at the catalytic site of the SARS-CoV-2 RNA MTase NSP16 and the predicted effects of mutations on SAM and RNA binding Open
In this document, we explain the methods of predicting the effect of genetic variability at the catalytic site of the SARS-CoV-2 RNA MTase NSP16 on SAM and RNA binding. The PDF document contains the detailed methods which accompany the fol…
View article: Methods-Calculating the change in Gibbs free energy (ddGbind) of inhibitor binding associated with genetic variations of SARS-CoV-2 Main Protease
Methods-Calculating the change in Gibbs free energy (ddGbind) of inhibitor binding associated with genetic variations of SARS-CoV-2 Main Protease Open
This method document accompanies the post on openlabnotebook.org here. In this document, we explain how we calculated the change in Gibbs free energy (ddGbind) of inhibitor binding associated with genetic variations of SARS-CoV-2 Main Prot…
View article: Methods of Mapping Genetic Variability onto SARS-CoV-2 Protein Crystal Structures
Methods of Mapping Genetic Variability onto SARS-CoV-2 Protein Crystal Structures Open
This post includes a step-by-step method for this post on openlabnotebook.org.
View article: The Druggable Genome as Seen from the Protein Data Bank
The Druggable Genome as Seen from the Protein Data Bank Open
Almost twenty years after the human genome was sequenced, the wealth of data produced by the international human genome project has not translated into a significantly improved drug discovery enterprise. This is in part because small molec…