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- Title
EmPLiCS: An Empirical Approach for Structure-Based Design of Natural Peptide Drugs1.
- Authors
Ishida, Hirokazu; Shirai, Tsuyoshi; Matsuda, Yoshiko; Kato, Yuji; Ohno, Masanori; Isaji, Tomoya; Yamane, Takashi
- Abstract
The computer implementation of a peptide drug-design strategy has been developed. The system is named EmPLiCS (Empirical Peptide Ldgand Construction System) according to the strategy of the system, which searches for peptdde-ligand structures by referring to empirical rules that are derived from known protein 3D structures. The system was tested on several known peptide-protein complexes. The results demonstrated the ability of this system to detect key residues of peptides that are crucial for interaction with their specific proteins. The system also showed the ability to detect the main chain trace of these peptides. Some of the main chain atoms were detected even though the complete primary structures were not reproduced, suggesting that main chain structure is important in peptide-protein recognition. The results of the present study demonstrated that the empirical rules-based system can generate significant information for use in the design of natural peptide drugs.
- Subjects
PEPTIDES; PROTEINS; PROTEOMICS; BIOSYNTHESIS; AMINO acids
- Publication
Journal of Biochemistry, 2000, Vol 128, Issue 4, p561
- ISSN
0021-924X
- Publication type
Article
- DOI
10.1093/oxfordjournals.jbchem.a022788