Matricon P

Structure-based virtual screening discovers potent and selective adenosine A1 receptor antagonists.

Matricon P, Nguyen AT, Vo DD, ..., May LT, Carlsson J

Eur J Med Chem 257 (-) 115419 [2023-09-05; online 2023-05-01]

Jens Carlsson SciLifeLab Fellow

Adenosine A2A receptor antagonists: from caffeine to selective non-xanthines.

Jacobson KA, Gao ZG, Matricon P, Eddy MT, Carlsson J

Br J Pharmacol 179 (14) 3496-3511 [2022-07-00; online 2020-06-19]

Jens Carlsson SciLifeLab Fellow

Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction.

Begnini F, Geschwindner S, Johansson P, ..., Schiesser S, Kihlberg J

J Med Chem 65 (4) 3473-3517 [2022-02-24; online 2022-02-02]

Jens Carlsson SciLifeLab Fellow

Fragment-based design of selective GPCR ligands guided by free energy simulations.

Matricon P, Vo DD, Gao ZG, ..., Jacobson KA, Carlsson J

Chem. Commun. (Camb.) 57 (92) 12305-12308 [2021-11-19; online 2021-11-19]

Jens Carlsson SciLifeLab Fellow

Ligand design by targeting a binding site water

Matricon P, Suresh RR, Gao ZG, ..., Jacobson KA, Carlsson J

Chem Sci 12 (3) 960-968 [2021-00-00; online 2021-00-00]

Jens Carlsson SciLifeLab Fellow

GPCRmd uncovers the dynamics of the 3D-GPCRome.

Rodríguez-Espigares I, Torrens-Fontanals M, Tiemann JKS, ..., Guixà-González R, Selent J

Nat. Methods 17 (8) 777-787 [2020-08-00; online 2020-07-13]

Jens Carlsson SciLifeLab Fellow

Energy Landscapes Reveal Agonist Control of G Protein-Coupled Receptor Activation via Microswitches.

Fleetwood O, Matricon P, Carlsson J, Delemotte L

Biochemistry 59 (7) 880-891 [2020-02-25; online 2020-02-07]

Jens Carlsson Lucie Delemotte SciLifeLab Fellow

FZD5 is a Gαq-coupled receptor that exhibits the functional hallmarks of prototypical GPCRs.

Wright SC, Cañizal MCA, Benkel T, ..., Schulte G, Hoffmann C

Sci Signal 11 (559) eaar5536 [2018-12-04; online 2018-12-04]

Jens Carlsson SciLifeLab Fellow

Fragment optimization for GPCRs by molecular dynamics free energy calculations: Probing druggable subpockets of the A 2A adenosine receptor binding site.

Matricon P, Ranganathan A, Warnick E, ..., Jacobson KA, Carlsson J

Sci Rep 7 (1) 6398 [2017-07-25; online 2017-07-25]

Affiliated researcher Jens Carlsson SciLifeLab Fellow