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.jpg): Failed to open stream: No such file or directory in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 117 Methods+Mol+Biol
2017 ; 1647
(ä): 221-236
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Exploring Protein-Protein Interactions as Drug Targets for Anti-cancer Therapy
with In Silico Workflows
#MMPMID28809006
Goncearenco A
; Li M
; Simonetti FL
; Shoemaker BA
; Panchenko AR
Methods Mol Biol
2017[]; 1647
(ä): 221-236
PMID28809006
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We describe a computational protocol to aid the design of small molecule and
peptide drugs that target protein-protein interactions, particularly for
anti-cancer therapy. To achieve this goal, we explore multiple strategies,
including finding binding hot spots, incorporating chemical similarity and
bioactivity data, and sampling similar binding sites from homologous protein
complexes. We demonstrate how to combine existing interdisciplinary resources
with examples of semi-automated workflows. Finally, we discuss several major
problems, including the occurrence of drug-resistant mutations, drug promiscuity,
and the design of dual-effect inhibitors.