Computational modeling of vWF and GPIbα interactions led to the successful design of novel antithrombotic peptides.
These peptides require experimental validation; leaves open antithrombotic potential targeting vWF-GPIbα.
The molecular interactions between vWF and GPIbα were investigated by MD simulations and MM-PBSA analysis, and then used for the design of inhibitors. Effective inhibitors EGEPWDGD and EAEPWDPD were obtained and validated.
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Chen et al. (2022) studied this question.
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