QSAR of multiple mutated antibodies
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Updated: Jul 15, 2026
Overlapping Peptide Library to Map Qa-1 Epitopes in a Protein
Published on: December 20, 2017
Ilona Mandrika1, Peteris Prusis, Sviatlana Yahorava
1Department of Pharmaceutical Pharmacology, Uppsala University, SE-751 24 Uppasala, Sweden.
Abstract:
The aim of this study was to develop predictive quantitative structure-activity relationship (QSAR) modeling for antibody-peptide interactions. A small single chain antibody library was designed and manufactured around the murine anti-p24 (HIV-1) monoclonal antibody CB4-1 by use of statistical molecular design (SMD) principles and site directed mutagenesis, and its affinity for a p24 derived antigen was determined by fluorescence polarization. A satisfactory QSAR model (Q(2) = 0.74, R(2) = 0.88) was derived by correlating the affinity data to physicochemical property scales of the amino acids varied in the library. The model explains most of the antibody-antigen interactions of the studied set, and provides insights into the molecular mechanism involved in antigen binding.
