Author

A. Kolocouris

Listed by name: these papers carry no ORCID for this author, so different people with the same name may be mixed together.

Biology Disciplines

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Biophysics· 2 Biochemistry· 1 Pharmacology & Toxicology· 1

Signature Assays, Organisms & Methods

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Approach:experimental assay· 3 Research Focus:drug response / drug discovery· 2 Approach:mechanistic / dynamical model· 1 Research Focus:protein folding & dynamics· 1 Research Focus:protein structure prediction· 1 Assay:structural biology· 1 Organism:virus· 1

Frequent Co-Authors

P. Lagarias· 3 shared C. Ma· 2 shared J. A. Townsend· 2 shared J. Wang· 2 shared M. T. Marty· 2 shared Y. Hu· 2 shared A. Gao· 1 shared B. Hurst· 1 shared

Activity by Year

2020-2022 · peak 3/yr

Co-Author Collaboration Network

10 top collaborators · 37 mutual co-author links

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3 shared papersBiophysics

P. Lagarias

Mutual co-authors in cluster

Author profile →

4 papers

Recent·Most cited

Comparative Study of State-Dependent Cholesterol Binding Sites in Adenosine A2A and A1 Receptors Using Coarse-Grained Molecular Dynamics Simulations in Biologically Relevant Membranes

E. Tzortzini, R. A. Corey, A. Kolocouris

This study uses CG MD simulations to compare cholesterol binding sites in active and inactive states of A2A and A1 adenosine receptors, identifying differences in binding stability and residence times.

bioRxiv · Sep 28, 2022 · PreprintBiophysics

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

M. D. Sacco, C. Ma, P. Lagarias, A. Gao, J. A. Townsend, X. Meng, P. Dube, X. Zhang, Y. Hu, N. Kitamura, B. Hurst, B. Tarbet, M. T. Marty, A. Kolocouris, Y. Xiang, , J. Wang

This study determines the structure of SARS-CoV-2 Mpro with calpain inhibitors and analogues, revealing new insights for developing dual inhibitors against Mpro and cathepsin L.

Science Advances · Dec 11, 2020Peer-reviewedBiophysics

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

C. Ma, Y. Hu, J. A. Townsend, P. Lagarias, M. T. Marty, A. Kolocouris, J. Wang

This study shows that six compounds inhibit SARS-CoV-2 Mpro non-specifically and their antiviral activity cannot be predicted by IC50 values in the absence of DTT.

bioRxiv · Sep 15, 2020Biochemistry

Pharmacological Characterisation of Novel Adenosine Receptor A3R Antagonists

K. Barkan, P. Lagarias, M. Stampelou, D. Stamatis, S. Hoare, K.-N. Klotz, E. Vrontaki, A. Kolocouris, G. Ladds

This study characterizes a selective A3R antagonist, K18, and identifies its binding mode through molecular dynamics simulations and mutagenesis.

bioRxiv · Apr 28, 2020Pharmacology & Toxicology