作者
Abhishek Kumar Verma, Sk Faisal Ahmed, Md Shahadat Hossain, Ali Asger Bhojiya, Sudhir K Upadhyay, Abhishek K Srivastava, Nripendra Singh, Harina, Md Mizanur Rahaman, Newaz Mohammed Bahadur
发表日期
2021/10/2
期刊
Journal of Biomolecular Structure and Dynamics
页码范围
1-20
出版商
Taylor & Francis
简介
SGK1 (Serum and Glucocorticoid Regulated Kinase 1), a serine/threonine kinase that is activated by various stimuli, including serum and glucocorticoids. It controls inflammation, apoptosis, hormone release, neuro-excitability and cell proliferation, all of which play an important role in cancer progression and metastasis. SGK1 was recently proposed as a potential drug target for cancer, diabetes, and neurodegenerative diseases. In this study, molecular docking, physiochemical, toxicological properties and molecular dynamic simulation of the Bis-[1-N,7-N, Pyrazolo tetraethoxyphthalimido{-4-(3,5-Dimethyl-4-(spiro-3-methylpyazolo)-1,7-dihydro-1H-dipyrazolo[3,4-b;4',3'-e]pyridin-8-yl)}]p-disubstituted phenyl compoundsand reference EMD638683 against new SGK1 target protein. Compared to the reference inhibitor EMD638683, we choose the best compounds (series 2-6) based on the binding energy (in the range …
引用总数