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Information × Registration Number 0213U006720, 0113U005884 , R & D reports Title Molecular mechanisms of the DNA point mutations caused by the oxidation of its purine bases: a model quantum-chemical investigation popup.stage_title Head Brovarets' Ol'ha Oleksandrivna, Registration Date 25-12-2013 Organization Institute of Molecular Biology and Genetics of NASU popup.description2 Aim of the investigation - to elucidate the molecular mechanisms of the DNA point mutations caused by the oxidation of the purine bases, which play a major role in the mutagenesis, carcinogenesis and aging. Methods of investigation - novel quantum chemical methods at the MP2/6-311++G(2df,pd)//B3LYP/6-311++G(d,p) level of theory both in vacuum approximation and in the surrounding environment with low polarity, and also the Bader's topological analysis of the electron density. Basic molecular mechanisms of the DNA point mutations caused by the oxidation of purine bases were established as a result of the project implementation. This, in turn, opens up new perspectives for the deeper penetration at the atomistic level into the essence of the processes determining the accuracy of the repair of these lesions by the enzyme systems. In addition, the established mechanisms would enable to predict in future the frequency of the mutations caused by the compounds of different origin. Product Description popup.authors Броварець Ольга Олександрівна Говорун Дмитро Миколайович popup.nrat_date 2020-04-02 Close