Regulation of recombinant humanized collagen on HAP growth and its molecule simulation.

ABSTRACT: Hydroxyapatite (HAP) in natural bone is formed under the regulation of natural collagen I. Here, we report how recombinant humanized collagen I (rhCol I) regulates the growth of HAP nanocrystals in a long belt shape 100-150 nm in width and 200-300 nm in length. MD simulation results showed that the interactions between rhCol I and the (001), (100), and (211) planes of HAP mainly contributed to the electrostatic force and van der Waals forces via COO⋯Ca, -NH⋯Ca, CH⋯OPO₃, and NH⋯OPO₃ bonds, respectively. On the (001) plane, the interaction between -COO^- and Ca was stronger than on the (100) and (211) planes, resulting in a large electrostatic force, which inhibited the growth of the (001) plane. The lowest energy of adsorption to the (211) plane result

SUBMITTER: Huang Z 

PROVIDER: S-EPMC10472339 | biostudies-literature | 2023 Aug

REPOSITORIES: biostudies-literature