Exploring Protein-Protein Interactions as Drug Targets for Anti-cancer Therapy with In Silico Workflows.
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ABSTRACT:
SUBMITTER: Goncearenco A
PROVIDER: S-EPMC5880202 | biostudies-literature | 2017
REPOSITORIES: biostudies-literature
Publications
Exploring Protein-Protein Interactions as Drug Targets for Anti-cancer Therapy with In Silico Workflows.
Goncearenco Alexander A Li Minghui M Simonetti Franco L FL Shoemaker Benjamin A BA Panchenko Anna R AR
Methods in molecular biology (Clifton, N.J.) 20170101
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. Fi ...[more]
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