Title : Identification of the naphthoquinone derivative inhibitors binding site in heat shock protein 90: an induced-fit docking, molecular dynamics and 3D-QSAR study.

Pub. Date : 2021 Oct

PMID : 32799638






1 Functional Relationships(s)
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1 Our results provide the bases for a rational modification of new molecules based in quinone scaffold, in order to design more potent Hsp90 inhibitors, which would exhibit highly potent antitumor activity. quinone heat shock protein 90 alpha family class A member 1 Homo sapiens