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Mathematical Modeling of Linear Docking. II. Estimating the Effect of Point Mutations on the Affinity between Protein Molecules

Abstract

A new method enabling the qualitative determination of the dissociation constant of peptides to full-length proteins and the estimation of the effect of point mutations in peptides on the stability of a formed complex with whole proteins was presented. Based on the developed approach, a qualitative correlation was revealed between the obtained results and the dissociation constant using the formation of a biocomplex of the Bmf, Puma, Bad, Hrk, Bax, Bik, Noxa, Bid, Bim, and Bak BH3-peptides and the Bcl-xl protein and a biocomplex of the Bax BH3-peptides and the Bcl-2 protein with consideration for the replacement of amino acid residues as an example.

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Correspondence to K. G. Kulikov.

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Original Russian Text © T.V. Koshlan, K.G. Kulikov, 2018, published in Zhurnal Tekhnicheskoi Fiziki, 2018, Vol. 88, No. 8, pp. 1150–1159.

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Koshlan, T.V., Kulikov, K.G. Mathematical Modeling of Linear Docking. II. Estimating the Effect of Point Mutations on the Affinity between Protein Molecules. Tech. Phys. 63, 1115–1124 (2018). https://doi.org/10.1134/S1063784218080091

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  • DOI: https://doi.org/10.1134/S1063784218080091