Jumat, 12 Mei 2017


depression is a common disease, which appears in all social groups, ages and in all genders. a tragedy associated with the loss of about 850.000 lives per year is the fact that depression can lead to suicide. point mutation is a change within a gene in which one base pair in the dna sequence is changed.

noradrenaline, in nature, point mutations are usually the result of mistakes made during dna replication. consequently, changes of the genes in dna, which code the sequence of amino acids in proteins,

can result in an unusual amino acid on a specific part in sequence of protein (in our case enzyme). by using multiscale molecular modeling simulation, we calculated the change of reactivity for tyr326ile point mutation of monoamine oxidase b catalyzed decomposition of pea. we calculated the activation free energies for pea decomposition catalyzed by wild type mao b and its mutant y326i. mutant enzyme is 6.0 times less active than the wild type, thus giving a significant rise to pea levels.

therefore, the levels of dopamine in the synapse are higher.


molecular simulations give us hope that we will be timely detecting all the mechanisms of enzyme mutations. consequently, it is only a matter of time when we are able to adequately influence the mutation.

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