QSAR of multiple mutated antibodies

Ilona Mandrika; Peteris Prusis; Sviatlana Yahorava; Kaspars Tars; Jarl E.S. Wikberg

doi:10.1002/jmr.817

QSAR of multiple mutated antibodies

Ilona Mandrika
, Peteris Prusis
, Sviatlana Yahorava
, Kaspars Tars
, Jarl E.S. Wikberg^*

^*Corresponding author for this work

Uppsala University

Research output: Contribution to journal › Article › peer-review

6 Citations (Scopus)

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 (Q² = 0.74, R² = 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.

Original language	English
Pages (from-to)	97-102
Number of pages	6
Journal	Journal of Molecular Recognition
Volume	20
Issue number	2
DOIs	https://doi.org/10.1002/jmr.817
Publication status	Published - Mar 2007
Externally published	Yes

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

SDG 3 Good Health and Well-being

Keywords

Amino acid physicochemical properties
Antibody library
Interaction site mapping
Peptide epitope
QSAR
Single chain antibody
Site directed mutagenesis
Statistical molecular design

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10.1002/jmr.817

Cite this

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title = "QSAR of multiple mutated antibodies",

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 (Q2 = 0.74, R2 = 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.",

keywords = "Amino acid physicochemical properties, Antibody library, Interaction site mapping, Peptide epitope, QSAR, Single chain antibody, Site directed mutagenesis, Statistical molecular design",

author = "Ilona Mandrika and Peteris Prusis and Sviatlana Yahorava and Kaspars Tars and Wikberg, \{Jarl E.S.\}",

year = "2007",

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doi = "10.1002/jmr.817",

language = "English",

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T1 - QSAR of multiple mutated antibodies

AU - Mandrika, Ilona

AU - Prusis, Peteris

AU - Yahorava, Sviatlana

AU - Tars, Kaspars

AU - Wikberg, Jarl E.S.

PY - 2007/3

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AB - 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 (Q2 = 0.74, R2 = 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.

KW - Amino acid physicochemical properties

KW - Antibody library

KW - Interaction site mapping

KW - Peptide epitope

KW - QSAR

KW - Single chain antibody

KW - Site directed mutagenesis

KW - Statistical molecular design

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DO - 10.1002/jmr.817

M3 - Article

C2 - 17421049

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VL - 20

SP - 97

EP - 102

JO - Journal of Molecular Recognition

JF - Journal of Molecular Recognition

IS - 2

ER -

QSAR of multiple mutated antibodies

Abstract

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Keywords

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