Interaction of Potassium ion with A mino Acids(alanine) as Buil ding block of Proteins: A DFTand HF study

The met al ions have importa nt rules in structure and functio n of proteins and other biomolec ules [۱]. Th e rule of m etals as cofactor is greatly magnified in activation of enzym e [۲,۳]. understanding the mechanism of activ ation inhibition and other reaction, in which t he metal io ns have a critical rule, is achieved by clarifying the interaction of protein sequences and the metal ions. T he amino as idscations a re undoubtedly much a bundant ion s in biological systems. They act as which bi nd weakly to organic are ideally suited in ge nerating ionic gradients across me mbranes and for the maintenance of osmotic b alance .on t he other han d the Potassiumion as metal ion have an im portant app lication as anti mania drug for t he depressio n disease . Study of the interactions between Potassium ion with biological molecule may be in accessible because of th e complexity of the biomolecules. it seems that the first estimation of these inte ractions can be obtain ed by studying the interaction of t he metal(Potassium) ions with the simple molecule such as alcohol, amide, amine and other molecule s containing functional group resem ble to functional group exist in bio molecules. A s a result extended research was done to un derstand the nature of Potassium i on interactio n with small organic systems .linear ۱-۴ c arbon alcohols .substituted acetophenones [۳] formaldehyde . This research d eals with th e Potassium ion bond dimer of som e substitut ed ketones and study the effects of the group’s nature on structure, stability and heat of formation of them. T his could be considered as beginni ng to understanding the interaction of metal ion on small o rganic mole cules as an e stimation of biological systems.

کلیدواژه ها:

amino asids ، biological systems ، D FT ، HF me thod ، IR spec trum and NMR