Biopolymers and cell. Volume 20. 1-2. 78-91.


K. A. Odynets, S. S. Ivahno, D. B. Kovalskyy, B. T. Tokovenko, A. I. Kornelyuk


Structural bioinformatics in post-genomic era




Structural bioinformatics is a novel branch of biology which uses the computational methods of analysis with the aim of modeling the 3D structures of proteins and macromolecular complexes. The goal of structural bioinformatics research is also the creation of novel modulators of functional activities of proteins, such as novel drugs (drug design). Progress in structural bioinformatics is determined by the rapid growth in the deciphering of several hundreds of genomes of both prokaryotic and eukaryotic organisms and transition to post-genomic era. In this review some aspects of structural bioinformatics such as 3D structure modeling, proteomics and interactomics, bioinformatics in transcriptome analysis, molecular dynamics of proteins, protein-ligand interactions modeling and computer aided drug design are discussed. The development and applications of these methods for mammalian tyrosyl-tRNA synthetase and viral HIV-protease are discussed. The first Ukrainian web-portal BioUA devoted to the genomics and structural bioinformatics investigations is described in this review.