Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M ^pro and cathepsin L

M. Sacco, Chunlong Ma, Panagiotis Lagarias, +14

Science Advances

Ebselen, Disulfiram, Carmofur, PX-12, Tideglusib, and Shikonin Are Nonspecific Promiscuous SARS-CoV-2 Main Protease Inhibitors

Chunlong Ma, Yanmei Hu, Julia A. Townsend, +4

ACS Pharmacology & Translational Science

Ebselen, disulfiram, carmofur, PX-12, tideglusib, and shikonin are non-specific promiscuous SARS-CoV-2 main protease inhibitors

Chunlong Ma, Yanmei Hu, Julia A. Townsend, +4

Discovery of Novel Adenosine Receptor Antagonists through a Combined Structure- and Ligand-Based Approach Followed by Molecular Dynamics Investigation of Ligand Binding Mode

Panagiotis Lagarias, Eleni Vrontaki, George Lambrinidis, +6

Journal of Chemical Information and Modeling

Insights to the Binding of a Selective Adenosine A ₃ Receptor Antagonist Using Molecular Dynamic Simulations, MM-PBSA and MM-GBSA Free Energy Calculations, and Mutagenesis

Panagiotis Lagarias, Kerry Barkan, Eva Tzortzini, +4

Journal of Chemical Information and Modeling

Pharmacological characterisation of novel adenosine A3 receptor antagonists

Kerry Barkan, Panagiotis Lagarias, Margarita Stampelou, +7

Scientific Reports

Investigation of the Drug Resistance Mechanism of M2-S31N Channel Blockers through Biomolecular Simulations and Viral Passage Experiments

Rami Musharrafieh, Panagiotis Lagarias, Chunlong Ma, +5

ACS Pharmacology & Translational Science

Chemical Probes for Blocking of Influenza A M2 Wild-type and S31N Channels

Christina Tzitzoglaki, Kelly L. McGuire, Panagiotis Lagarias, +11

ACS Chemical Biology

Structure and inhibition of the SARS-CoV-2 main protease reveals strategy for developing dual inhibitors against M ^pro and cathepsin L

M. Sacco, Chunlong Ma, Panagiotis Lagarias, +14

The L46P Mutant Confers a Novel Allosteric Mechanism of Resistance Toward the Influenza A Virus M2 S31N Proton Channel Blockers

Rami Musharrafieh, Panagiotis Lagarias, Chunlong Ma, +3

Molecular Pharmacology