http://dx.doi.org/10.1039/C4CC04498C">
 

Document Type

Journal Article

Department/Unit

Department of Chemistry

Title

Virtual screening and optimization of Type II inhibitors of JAK2 from a natural product library

Language

English

Abstract

© The Royal Society of Chemistry 2014. Amentoflavone has been identified as a JAK2 inhibitor by structure-based virtual screening of a natural product library. In silico optimization using the DOLPHIN model yielded analogues with enhanced potency against JAK2 activity and HCV activity in cellulo. Molecular modeling and kinetic experiments suggested that the analogues may function as Type II inhibitors of JAK2.

Publication Date

2014

Source Publication Title

Chemical Communications

Volume

50

Issue

90

Start Page

13885

End Page

13888

Publisher

Royal Society of Chemistry

ISSN (print)

13597345

ISSN (electronic)

1364548X

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