Elucidating Binding Sites and Affinities of ERα Agonist and Antagonist to Human Alpha-Fetoprotein by in silico Modeling and Point Mutagenesis

Abstract

Elucidating Binding Sites and Affinities of ERα Agonist and Antagonist to Human Alpha-Fetoprotein by in silico Modeling and Point Mutagenesis Nurbubu T. Moldogazieva1*, Daria S. Ostroverkhova1,2, Nikolai N. Kuzmich1,3, Vladimir V. Kadochnikov4, Alexander A. Terentiev5, Yuri B. Porozov1,4 1 Laboratory of Bioinformatics, I.M. Sechenov First Moscow State Medical University (Sechenov University); Moscow, Russia; 2Department of Bioengineering, M.V. Lomonosov Moscow State University; Moscow, Russia; 3Department of Drug Safety, I.M. Smorodintsev Research Institute of Influenza, WHO National Influenza Centre of Russia; Saint Petersburg, Russia 4Department of Information and Communication Technologies, Saint Petersburg National Research University of Information Technologies, Mechanics and Optics; Saint Petersburg, Russia 5Deparment of Biochemistry and Molecular Biology, N.I. Pirogov Russian National Research Medical University; Moscow Russia