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In silico design novel vibsanin B derivatives as inhibitor for heat shock protein 90 based on 3D-QSAR, molecular docking and molecular dynamics simulation

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Version 2 2019-10-03, 11:02
Version 1 2019-09-23, 07:06
journal contribution
posted on 2019-10-03, 11:02 authored by Qingxiu He, Han Chu, Yuxuan Wang, Haiqiong Guo, Yuanqiang Wang, Siyi Wang, Zhiwei Feng, Xiang-Qun Xie, Yong Hu, Haibin Liu, Zhihua Lin

Communicated by Ramaswamy H. Sarma

Funding

The National Natural Science Foundation of China (31400667), Chongqing Municipal Education Commission Science and Technology Research Project (KJZD-K201801102), Chongqing Research Program of Basic Research and Frontier Technology (cstc2018jcyjAX0683, cstc2015jcyjBX0080), Opening Foundation of State Key Laboratory of Silkworm Genome Biology (sklsgb1819-2), NIH NIDA (P30 DA035778A1, PI, Xiang-Qun Xie).

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    Journal of Biomolecular Structure and Dynamics

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    dockingSarmadynamics simulation Communicated3 D-QSARsilico design novel vibsanin B deri...Ramaswamy Hheat shock protein 90inhibitor

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