Structure guided design of potential inhibitors of human calcium-calmodulin dependent protein kinase IV containing pyrimidine scaffold
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- 作者：Huma Naza ; Ehtesham Jameelb ; Nasimul Hodac ; nhoda@jmi.ac.in" class="auth_mail" title="E-mail the corresponding author ; Ashutosh Shandilyad ; e ; Parvez Khana ; Asimul Islama ; Faizan Ahmada ; B. Jayaramd ; e ; Md. Imtaiyaz Hassana ; mihassan@jmi.ac.in" class="auth_mail" title="E-mail the corresponding author
- 关键词：Calcium&ndash ; calmodulin dependent protein kinase IV ; Drug target ; Molecular docking ; Fluorescence binding study ; High affinity ligands ; Cancer and neurodegenerative diseases
- 刊名：Bioorganic & Medicinal Chemistry Letters
- 出版年：2016
- 出版时间：1 February 2016
- 年：2016
- 卷：26
- 期：3
- 页码：782-788
- 全文大小：2836 K
文摘
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Three potential ligands were docked in the active site cavity of CAMKIV.
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Several non-covalent interactions are formed between ligands and CAMKIV.
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All three ligands were synthesized and characterized successfully.
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Molecule 3 is showing very high affinity for the CAMKIV in the nm range.