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Information × Registration Number 0318U004028, 0117U006981 , R & D reports Title Reconstruction of models of different subunits of human tubulin and confirmation of their stability in the free state and in complexes with isoflavone derivatives: glazovianin A, gatastatin and sotlitin (TZT-1027). popup.stage_title Реконструкція моделей різних субодиниць тубуліну людини та підтвердження їх стабільності у вільному стані та у комплексах з похідними ізофлавону: глазіовіаніну А, гатастатину і собліотину (TZT-1027). Head Nyporko Oleksii, Registration Date 26-01-2018 Organization Taras Shevchenko Kiev University popup.description2 The object of the study is the dynamics of the spatial structure of various and isotypes of tubulin and their complexes with isoflavone derivatives. The purpose of the work is to reconstruct the spatial structure of various isotypes of beta and gamma subunits of human tubulin and test the quality of the developed models of tubules and their complexes with isoflavone derivatives. Methods of research ¬ structural-biological, molecular-mechanical. It has been established that behavior over 100 nanosecond molecular dynamics of beta and gamma subunits, as well as of alpha subunits of human tubulin, undergoes certain changes depending on what particular isoflavone derivative forms a complex with a molecule of tubulin. In general, the interaction with glazovianin A leads to an increase in the conformational space of the test tubules, whereas binding of the hatvastatin results in a certain compaction of the protein globules and the stabilization of the spatial structure of the tubules in time. The hypothesis of the excellent selectivity of various isoflavone derivatives in relation to various isotypes of human tubules has been confirmed. It has been found that the isoflavone compounds studied are in principle capable of binding both beta, gamma and alpha tubulin, but the stability of the "tubulin-isoflavone" complexes, the energy of interaction between protein and ligand in the studied complexes and the corresponding binding constants are clearly differ depending on which subunit it binds to the particular isoflavone derivative. Thus, glazovianin A exhibits the highest affinity for human beta-tubulin, whereas hatostatin is characterized by the highest affinity to gamma-tubulin (which is well in agreement with the results of instrumental studies). Product Description popup.authors І. С. Войтешенко А. С. Соседко О. В. Цимбалюк О. Ю. Нипорко popup.nrat_date 2020-04-02 Close