Atomic Simulation of the Binding of JAK1 and JAK2 with the Selective Inhibitor Ruxolitinib.

Kondratyev, Maxim; Rudnev, Vladimir R; Nikolsky, Kirill S; Stepanov, Alexander A; Petrovsky, Denis V; Kulikova, Liudmila I; Kopylov, Arthur T; Malsagova, Kristina A; Kaysheva, Anna L

Kondratyev, Maxim; Rudnev, Vladimir R; Nikolsky, Kirill S; Stepanov, Alexander A; Petrovsky, Denis V; Kulikova, Liudmila I; Kopylov, Arthur T; Malsagova, Kristina A; Kaysheva, Anna L.

Afiliação

Kondratyev M; Institute of Cell Biophysics, Russian Academy of Sciences, 142290 Pushchino, Russia.
Rudnev VR; Biobanking Group, Branch of Institute of Biomedical Chemistry "Scientific and Education Center", 109028 Moscow, Russia.
Nikolsky KS; Institute of Theoretical and Experimental Biophysics, Russian Academy of Sciences, 142290 Pushchino, Russia.
Stepanov AA; Biobanking Group, Branch of Institute of Biomedical Chemistry "Scientific and Education Center", 109028 Moscow, Russia.
Petrovsky DV; Biobanking Group, Branch of Institute of Biomedical Chemistry "Scientific and Education Center", 109028 Moscow, Russia.
Kulikova LI; Biobanking Group, Branch of Institute of Biomedical Chemistry "Scientific and Education Center", 109028 Moscow, Russia.
Kopylov AT; Biobanking Group, Branch of Institute of Biomedical Chemistry "Scientific and Education Center", 109028 Moscow, Russia.
Malsagova KA; Institute of Theoretical and Experimental Biophysics, Russian Academy of Sciences, 142290 Pushchino, Russia.
Kaysheva AL; Institute of Mathematical Problems of Biology RAS-The Branch of Keldysh Institute of Applied Mathematics of Russian Academy of Sciences, 142290 Pushchino, Russia.

Int J Mol Sci ; 23(18)2022 Sep 09.

Article em En | MEDLINE | ID: mdl-36142375

Assuntos

Artrite Reumatoide; Janus Quinase 2; Aminoácidos; Artrite Reumatoide/tratamento farmacológico; Citocinas; Humanos; Janus Quinase 1; Janus Quinase 2/metabolismo; Janus Quinases; Simulação de Acoplamento Molecular; Nitrilas; Inibidores de Proteínas Quinases/farmacologia; Pirazóis; Pirimidinas; Receptores de Citocinas

Palavras-chave

JAK inhibitor; molecular modeling; rheumatoid arthritis; ruxolitinib

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Limite: Humans Idioma: En Ano de publicação: 2022 Tipo de documento: Article

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Limite: Humans Idioma: En Ano de publicação: 2022 Tipo de documento: Article