title: [Application of the methods of molecular modeling to the search for new biologically active substances].
abstract: The searching for new chemical compounds possessing specific biological activity is a complex problem that needs the usage of modern methods of molecular modeling. In particular, for the prupose of searching for potentially active compounds for whole class of SH2 domains, a comparison of all available structures, their cluster analysis, molecu- lar docking, selection of all possible pharmacophore models and GTM prediction were done. Obtained results testify to the considerable variability of binding of SH2 domains.
authors.forename: V V
authors.initials: VV
authors.lastname: Hurmach
authors.forename: O M
authors.initials: OM
authors.lastname: Balinskyi
authors.forename: M O
authors.initials: MO
authors.lastname: Platonov
authors.forename: O M
authors.initials: OM
authors.lastname: Boyko
authors.forename: Yu I
authors.initials: YI
authors.lastname: Prylutskyy
mesh_terms: D000818:Animals; D062126:Databases, Chemical; D055808:Drug Discovery; D006801:Humans; D062105:Molecular Docking Simulation; D056004:Molecular Dynamics Simulation; D054852:Small Molecule Libraries / Q000737:chemistry*; D013816:Thermodynamics; D018909:src Homology Domains; D019061:src-Family Kinases / Q000037:antagonists & inhibitors / Q000737:chemistry*
chemical_list: D054852:Small Molecule Libraries; D019061:src-Family Kinases