期刊
PROGRESS IN BIOPHYSICS & MOLECULAR BIOLOGY
卷 116, 期 2-3, 页码 165-173出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.pbiomolbio.2014.06.003
关键词
Hot spot; Protein-protein interface; Drug design; Protein-protein interaction
Identification of drug-like small molecules that alter protein-protein interactions might be a key step in drug discovery. However, it is very challenging to find such molecules that target interface regions in protein complexes. Recent findings indicate that such molecules usually target specifically energetically favored residues (hot spots) in protein protein interfaces. These residues contribute to the stability of protein-protein complexes. Computational prediction of hot spots on bound and unbound structures might be useful to find druggable sites on target interfaces. We review the recent advances in computational hot spot prediction methods in the first part of the review and then provide examples on how hot spots might be crucial in drug design. (C) 2014 Published by Elsevier Ltd.
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