Homology Modeling-Based in Silico Affinity Maturation Improves the Affinity of a Nanobody.

ABSTRACT: Affinity maturation and rational design have a raised importance in the application of nanobody (VHH), and its unique structure guaranteed these processes quickly done in vitro. An anti-CD47 nanobody, Nb02, was screened via a synthetic phage display library with 278 nM of K_D value. In this study, a new strategy based on homology modeling and Rational Mutation Hotspots Design Protocol (RMHDP) was presented for building a fast and efficient platform for nanobody affinity maturation. A three-dimensional analytical structural model of Nb02 was constructed and then docked with the antigen, the CD47 extracellular domain (CD47^ext). Mutants with high binding affinity are predicted by the scoring of nanobody-antigen complexes based on molecular dynamics trajectories and

SUBMITTER: Cheng X 

PROVIDER: S-EPMC6747709 | biostudies-literature | 2019 Aug

REPOSITORIES: biostudies-literature