scholarly journals Inhibitor Design Strategy Based on an Enzyme Structural Flexibility: A Case of Bacterial MurD Ligase

2014 ◽  
Vol 54 (5) ◽  
pp. 1451-1466 ◽  
Author(s):  
Andrej Perdih ◽  
Martina Hrast ◽  
Hélène Barreteau ◽  
Stanislav Gobec ◽  
Gerhard Wolber ◽  
...  
Keyword(s):  
Design Strategy ◽  
Structural Flexibility ◽  
Inhibitor Design ◽  
Murd Ligase

Molecular modeling of Plasmodium falciparum peptide deformylase and structure-based pharmacophore screening for inhibitors

RSC Advances ◽  
2016 ◽  
Vol 6 (35) ◽  
pp. 29466-29485 ◽  
Author(s):  
Anu Manhas ◽  
Sivakumar Prasanth Kumar ◽  
Prakash Chandra Jha
Keyword(s):  
Plasmodium Falciparum ◽  
Molecular Modeling ◽  
Design Strategy ◽  
Peptide Deformylase ◽  
Metal Coordination ◽  
Coordination Geometry ◽  
Inhibitor Design ◽  
Inhibitor Binding ◽  
Pharmacophore Screening

The role of metal coordination geometry and actinonin (inhibitor) binding was examined to develop pharmacophore-based inhibitor design strategy forPlasmodium falciparumpeptide deformylase.

Memapsin 2 (β-secretase) as a therapeutic target

2002 ◽  
Vol 30 (4) ◽  
pp. 530-534 ◽  
Author(s):  
L. Hong ◽  
R. T. Turner ◽  
G. Koelsch ◽  
A. K. Ghosh ◽  
J. Tang
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Therapeutic Target ◽  
Amyloid Β ◽  
Design Strategy ◽  
Precursor Protein ◽  
Inhibitor Design ◽  
Memapsin 2

As β-secretase, memapsin 2 cleaves amyloid-β precursor protein, which leads ultimately to the onset of Alzheimer's disease. As such, memapsin 2 is an excellent target of inhibitor drugs for the treatment of this disease. Here we describe the tools for memapsin 2 inhibitor design that have been developed and results from the structure-based inhibitor design. Strategy for the design of memapsin 2 inhibitors with pharmaceutical potential is also discussed.

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