Journal
FUTURE MEDICINAL CHEMISTRY
Volume 7, Issue 16, Pages 2173-2193Publisher
FUTURE SCI LTD
DOI: 10.4155/fmc.15.142
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Peptides provide promising templates for developing drugs to occupy a middle space between small molecules and antibodies and for targeting undruggable' intracellular protein-protein interactions. Importantly, rational or in cerebro design, especially when coupled with validated in silico tools, can be used to efficiently explore chemical space and identify islands of drug-like' peptides to satisfy diverse drug discovery program objectives. Here, we consider the underlying principles of and recent advances in rational, computer-enabled peptide drug design. In particular, we consider the impact of basic physicochemical properties, potency and ADME/Tox opportunities and challenges, and recently developed computational tools for enabling rational peptide drug design. Key principles and practices are spotlighted by recent case studies. We close with a hypothetical future case study.
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