In Silico Maturation of a Nanomolar Antibody against the Human CXCR2.

ABSTRACT: The steady increase in computational power in the last 50 years is opening unprecedented opportunities in biology, as computer simulations of biological systems have become more accessible and can reproduce experimental results more accurately. Here, we wanted to test the ability of computer simulations to replace experiments in the limited but practically useful scope of improving the biochemical characteristics of the abN48 antibody, a nanomolar antagonist of the CXC chemokine receptor 2 (CXCR2) that was initially selected from a combinatorial antibody library. Our results showed a good correlation between the computed binding energies of the antibody to the peptide target and the experimental binding affinities. Moreover, we showed that it is possible to design new antibody sequences in

SUBMITTER: Buratto D 

PROVIDER: S-EPMC9496334 | biostudies-literature | 2022 Sep

REPOSITORIES: biostudies-literature