This study identifies a CHI3L1 inhibitor, compound 9e, through structure-based virtual screening of a large chemical space, showing efficacy in a 3D GBM model.

ACS Omega · Dec 21, 2025Peer-reviewedPharmacology & Toxicology

CACHE Challenge #1: targeting the WDR domain of LRRK2, a Parkinson's Disease associated protein.

Fengling Li, Suzanne Z. Ackloo, C. H. Arrowsmith, Fuqiang Ban, Christopher Barden, Hartmut Beck, Jan Beránek, Francois Berenger, Albina Bolotokova, Guillaume Bret, Marko Breznik, Emanuele Carosati, Irene Chau, Yu Chen, Artem R Cherkasov, , Matthieu Schapira

The paper evaluates computational hit-finding methods for targeting the WDR domain of LRRK2, a Parkinson's disease protein, finding that diverse strategies yielded weakly potent compounds.

Journal of Chemical Information and Modeling · Nov 5, 2024Peer-reviewedBiochemistry

FLT3 signaling inhibition preserves opioid analgesia while abrogating tolerance and hyperalgesia

Antoine Jouvenel, Adrien Tassou, Maxime Thouaye, Jérôme Ruel, Myriam Antri, Jean-Philippe Leyris, Aurore Paquet, Sylvie Mallié, Chamroeum Sar, Lucie Diouloufet, Corinne Sonrier, François Daubeuf, Juliette Bertin, Stacy Alves, Stéphanie Ventéo, , Cyril Rivat

This study shows that inhibiting FLT3 signaling preserves opioid analgesia while preventing tolerance and hyperalgesia in chronic pain models.

bioRxiv · Mar 16, 2023 · PreprintNeuroscience

Unexpected similarity between HIV-1 reverse transcriptase and tumor necrosis factor revealed by binding site image processing

Merveille Eguida, Didier Rognan

The paper identifies an unexpected similarity between HIV-1 reverse transcriptase and tumor necrosis factor binding sites using a new computational method, confirmed by experimental assays.

Journal of Cheminformatics · Nov 23, 2021Peer-reviewedBioinformatics