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A Comprehensive Review on Current Advances in Peptide Drug Development and Design

1
QIMR Berghofer Medical Research Institute, Brisbane, QLD 4006, Australia
2
Radiation Biology Research Center, Institute for Radiological Research, Chang Gung Memorial Hospital, Chang Gung University, Taoyuan 333, Taiwan
3
Department of Radiation Oncology, Chang Gung Memorial Hospital, Linkou 333, Taiwan
*
Author to whom correspondence should be addressed.
Int. J. Mol. Sci. 2019, 20(10), 2383; https://doi.org/10.3390/ijms20102383
Received: 19 April 2019 / Revised: 9 May 2019 / Accepted: 10 May 2019 / Published: 14 May 2019
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Abstract

Protein–protein interactions (PPIs) execute many fundamental cellular functions and have served as prime drug targets over the last two decades. Interfering intracellular PPIs with small molecules has been extremely difficult for larger or flat binding sites, as antibodies cannot cross the cell membrane to reach such target sites. In recent years, peptides smaller size and balance of conformational rigidity and flexibility have made them promising candidates for targeting challenging binding interfaces with satisfactory binding affinity and specificity. Deciphering and characterizing peptide–protein recognition mechanisms is thus central for the invention of peptide-based strategies to interfere with endogenous protein interactions, or improvement of the binding affinity and specificity of existing approaches. Importantly, a variety of computation-aided rational designs for peptide therapeutics have been developed, which aim to deliver comprehensive docking for peptide–protein interaction interfaces. Over 60 peptides have been approved and administrated globally in clinics. Despite this, advances in various docking models are only on the merge of making their contribution to peptide drug development. In this review, we provide (i) a holistic overview of peptide drug development and the fundamental technologies utilized to date, and (ii) an updated review on key developments of computational modeling of peptide–protein interactions (PepPIs) with an aim to assist experimental biologists exploit suitable docking methods to advance peptide interfering strategies against PPIs. View Full-Text
Keywords: binding site; docking; Interface; modeling; peptide; peptide–protein interaction; protein–protein interaction; scoring binding site; docking; Interface; modeling; peptide; peptide–protein interaction; protein–protein interaction; scoring
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Lee, A. .-L.; Harris, J.L.; Khanna, K.K.; Hong, J.-H. A Comprehensive Review on Current Advances in Peptide Drug Development and Design. Int. J. Mol. Sci. 2019, 20, 2383.

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