Rational molecular targeting of the inter-subunit interaction between human cardiac troponin hcTnC and hcTnI using switch peptide-competitive biogenic medicines.

Computational Biology and Chemistry(2020)

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摘要
•Biogenic competitors are used to competitively disrupt human cardiac hcTnC–hcTnI interaction.•A multistep screening protocol is performed against a biogenic compound library to identify competitors.•Small-molecule collismycin and compound e are identified as potent competitors.•Both competitors and hcTnI switch peptide share a common binding site of hcTnC.
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关键词
Human cardiac troponin,Virtual screening,Switch peptide,Biogenic,medicine,Collismycin,Cardiovascular disease
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