Inhibitor Design Strategy for Myostatin: Dynamics and Interaction Networks Define the Affinity and Release Mechanisms of the Inhibited Complexes

Published October 16, 2023 10:52

Based on in silico molecular modelling and dynamics simulations, we showed that one of the mutants of the minimum peptide sequences of the GDF11, the 11m2 peptide is a promising inhibitor candidate for the muscle growth regulating myostatin as well as we found that the beta-hairpins of it acts like a controlled gate, which can easily open if the complex structure is not stable, while when the inhibitor candidate binds strongly to it, the gate stay closed.

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