Structure-Based Design of Novel Alkynyl Thio-Benzoxazepinone Receptor-Interacting Protein Kinase-1 Inhibitors: Extending the Chemical Space from the Allosteric to ATP Binding Pockets.
Sign Up to like & getrecommendations! Published in 2023 at "Journal of medicinal chemistry"
DOI: 10.1021/acs.jmedchem.2c02067
Abstract: Systemic inflammatory response syndrome (SIRS), characterized by severe systemic inflammation, represents a major cause of health loss, potentially leading to multiple organ failure, shock, and death. Exploring potent RIPK1 inhibitors is an effective therapeutic strategy… read more here.
Keywords: binding pockets; allosteric atp; atp binding; alkynyl ... See more keywords
Distinct resistance mechanisms arise to allosteric vs. ATP-competitive AKT inhibitors.
Sign Up to like & getrecommendations! Published in 2022 at "Nature communications"
DOI: 10.1038/s41467-022-29655-0
Abstract: The AKT kinases have emerged as promising therapeutic targets in oncology and both allosteric and ATP-competitive AKT inhibitors have entered clinical investigation. However, long-term efficacy of such inhibitors will likely be challenged by the development… read more here.
Keywords: allosteric atp; resistance; atp competitive; akt inhibitors ... See more keywords
Molecular Dynamics Simulations of p97 Including Covalent, Allosteric and ATP-competitive Inhibitors.
Sign Up to like & getrecommendations! Published in 2019 at "Acta chimica Slovenica"
DOI: 10.17344/acsi.2019.4880
Abstract: Binary (nucleotide-protein dimer and hexamer complexes) and ternary (nucleotide-protein-inhibitor complexes) p97 complexes were subjected to molecular dynamics simulations in an attempt to further our understanding of the p97 protein oligomer domain stability and, more importantly,… read more here.
Keywords: allosteric atp; simulations p97; dynamics simulations; atp competitive ... See more keywords