Kopruluoglu, C; Dejmek, M; Sala, M; Ajani, H; Hrebabecky, H; Fanfrlik, J; Jorda, R; Dracinsky, M; Prochazkova, E; Sacha, P; Krystof, V; Hobza, P; Lepsik, M; Nencka, R in [Kopruluoglu, Cemal; Dejmek, Milan; Sala, Michal; Ajani, Haresh; Hrebabecky, Hubert; Fanfrlik, Jindrich; Dracinsky, Martin; Prochazkova, Eliska; Sacha, Pavel; Hobza, Pavel; Lepsik, Martin; Nencka, Radim] Czech Acad Sci, Inst Organ Chem & Biochem, Flemingovo Nam 2, Prague 16610 6, Czech Republic; [Kopruluoglu, Cemal; Ajani, Haresh; Hobza, Pavel] Palacky Univ, Reg Ctr Adv Technol & Mat, Dept Phys Chem, Olomouc, Czech Republic; [Jorda, Radek; Krystof, Vladimir] Palacky Univ, Fac Sci, Lab Growth Regulators, Olomouc, Czech Republic; [Jorda, Radek; Krystof, Vladimir] Czech Acad Sci, Inst Expt Bot, Olomouc, Czech Republic published Optimization of norbornyl-based carbocyclic nucleoside analogs as cyclin-dependent kinase 2 inhibitors in 2020, Cited 45. Recommanded Product: 1,4-Dioxa-8-azaspiro[4.5]decane. The Name is 1,4-Dioxa-8-azaspiro[4.5]decane. Through research, I have a further understanding and discovery of 177-11-7.
We report on the discovery of norbornyl moiety as a novel structural motif for cyclin-dependent kinase 2 (CDK2) inhibitors which was identified by screening a carbocyclic nucleoside analogue library. Three micromolar hits were expanded by the use of medicinal chemistry methods into a series of 16 novel compounds. They had prevailingly micromolar activities against CDK2 and the best compound of the series attained IC(50)of 190 nM. The binding modes were explored in molecular details by modeling and docking. Quantum mechanics-based scoring was used to rationalize the affinities. In conclusion, the discovered 9-hydroxymethylnorbornyl moiety was shown by joint experimental-theoretical efforts to be able to serve as a novel substituent for CDK2 inhibitors. This finding opens door to the exploration of chemical space towards more effective derivatives targeting this important class of protein kinases.
About 1,4-Dioxa-8-azaspiro[4.5]decane, If you have any questions, you can contact Kopruluoglu, C; Dejmek, M; Sala, M; Ajani, H; Hrebabecky, H; Fanfrlik, J; Jorda, R; Dracinsky, M; Prochazkova, E; Sacha, P; Krystof, V; Hobza, P; Lepsik, M; Nencka, R or concate me.. Quality Control of 1,4-Dioxa-8-azaspiro[4.5]decane
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