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Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules
Published on: July 25, 2013
Design, synthesis, and conformational analysis of a novel series of HIV protease inhibitors
C T Baker1, F G Salituro, J J Court
1Vertex Pharmaceuticals Incorporated, Cambridge, MA 02139, USA.
Abstract:
A combination of structure-based design and both solution, and solid-phase synthesis were utilized to derive a potent (nM) series of HIV-1 protease inhibitors bearing a structurally novel backbone. Detailed structural analysis of several inhibitors prepared in this series has suggested that rigidification of the P1/P2 region of this class of molecules may result in compounds with improved potency.
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