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JAK inhibitors in immune-mediated rheumatic diseases: From a molecular perspective to clinical studies
Journal of Molecular Graphics and Modelling ( IF 2.9 ) Pub Date : 2020-11-06 , DOI: 10.1016/j.jmgm.2020.107789
Michela Sperti 1 , Marta Malavolta 1 , Gloria Ciniero 1 , Simone Borrelli 1 , Marco Cavaglià 1 , Stefano Muscat 2 , Jack Adam Tuszynski 1 , Antonella Afeltra 3 , Domenico Paolo Emanuele Margiotta 3 , Luca Navarini 3
Affiliation  

The Janus Kinase signalling pathway is implicated in the pathogenesis of immune-related diseases. The potency of small-molecule Janus Kinase inhibitors in the treatment of inflammatory diseases demonstrates that this pathway can be successfully targeted for therapeutic purposes. The outstanding relevant questions concerning drugs’ efficacy and toxicity challenge the research to enhance the selectivity of these drugs. The promising results of computational techniques, such as Molecular Dynamics and Molecular Docking, coupled with experimental studies, can improve the understanding of the molecular mechanism of Janus Kinase pathway and thus enable the rational design of new more selective inhibitor molecules.



中文翻译:

免疫介导的风湿性疾病中的JAK抑制剂:从分子角度到临床研究

Janus激酶信号传导途径与免疫相关疾病的发病机制有关。小分子Janus激酶抑制剂在炎性疾病治疗中的功效表明,该途径可以成功地靶向治疗目的。有关药物功效和毒性的悬而未决的相关问题对提高这些药物的选择性的研究提出了挑战。计算技术的有希望的结果,例如分子动力学和分子对接,再加上实验研究,可以增进对Janus激酶途径的分子机制的理解,从而可以合理设计新的更具选择性的抑制剂分子。

更新日期:2020-11-06
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