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Information × Registration Number 0221U104792, 0115U003746 , R & D reports Title Physico-chemical mechanisms of the spontaneous and induced by analogues of nucleotide bases point mutations popup.stage_title Head Govorun Dmitro M, Доктор біологічних наук Registration Date 13-04-2021 Organization Institute of Molecular Biology and Genetics of NAS of Ukraine popup.description2 The object of research – is the physicochemical mechanisms of spontaneous and analogue-induced nucleotide bases of point mutations. The purpose of the study – is to investigate the elementary physicochemical mechanisms of spontaneous and mutagenic - induced analogues of DNA bases of point mutations and to establish the role played in these processes by the pocket of recognition of high-precision DNA polymerase. Research methods – used an arsenal of methods of computational biology (non-empirical and semi-empirical quantum-chemical approaches, hybrid quantum-mechanical / molecular-mechanical methods, molecular mechanics and dynamics, docking, including flexible) and structural bioinformatics, as well as physical methods of physics and chemistry analysis of electron density by Bader. The obtained results – the internally contradictory theory of spontaneous and induced by modified nucleotide bases point mutagenesis is created and substantiated. A quantum chemical screening algorithm for highly effective mutagens and antimutagens – derivatives of nucleotide bases – with targeted action, capable of causing either inclusion or replication errors, or both, has been developed. Conclusions - for the first time a number of results have been obtained and presented on the organic combination of the tautomeric hypothesis with views that consider the cause of these processes in the formation of incorrect pairs of DNA bases in the canonical tautomeric form. Product Description popup.authors Brovarets Olha O. Gorb Leonid G Zarudnaya Margarita I Kolomiiets Iryna M. Palchykovska Larysa H Platonov Maksym O Potyahaylo Andriy L Samiilenko Svitlana P Stepaniuhin Andrii V. Shyryna Tetyana V popup.nrat_date 2021-04-13 Close