Electronic-conformational Interactions in Proteins
نویسنده
چکیده
The functionality of biopolymers and of the supermolecular structures in biology depends strongly on the interactions between electronic excitations and the shifts of the electronic density with the conformational changes in these systems. The study of the electronic—conformational interactions can help to form the physical theory of enzymatic activity and of the other biomolecular phenomena. The concept of the conformon can be introduced for the theoretical description of the electronic—conformational interactions, describing a kind of the quasi-particle containing the shift of the electronic density and the conformational changes. The direct experimental investigations of the electronic—conformational interactions were performed with the systems apo-aspartate-amino transferase with a series of different coenzymes. The denaturation of such systems (i.e. their conformational properties) depends strongly on the kind of the electronic interactions at the active site.
منابع مشابه
In vitro study of drug-protein interaction using electronic absorption, fluorescence, and circular dichroism spectroscopy
In the near future, design of a new generation of drugs targeting proteins will be required. Considering the complex bond between the drug and protein, the structure and stability of the target protein should be considered. So far, a series of in vitro investigations have been conducted with the aim of predicting drug-biological medium interactions. In these studies, use of spectroscopic method...
متن کاملDFT Study and NBO Analysis of Conformation Properties of 2,5,5-Trimethyl-1,3,2-Dioxaphosphinane 2-Selenide and Their Dithia and Diselena Analogous
The hybrid density functional theory (B3LYP) and ab initio molecular orbital (HF) based methods and Natural Bond Orbital (NBO) interpretation were used to analyze the conformational behaviors of 2,5,5-trimethyl-1,3,2-dioxaphosphinane 2-selenide (compound 1), 2,5,5-trimethyl-1,3,2-dithiaphosphinane 2-selenide (compound 2) and 2,5,5-trimethyl-1,3,2-diselena phosp...
متن کاملAb initio Study and NBO Analysis of Conformational Properties of 2-Substituted Cyclohexane-1,3-diones and its Analogues Containing S and Se Atoms
NBO analysis, hybrid density functional theory (B3LYP/6-311+G**) and ab initio molecular orbital (HF/6-311+G**) based methods were used to study the anomeric effects (AE), electrostatic interactions, dipole-dipole interactions and steric repulsion effects on the conformational properties of 2-methoxy- (1), 2-methylthio- (2), 2-methylseleno- (3), 2-fluoro- (4), 2-chloro- (5) and 2-bromocyclohexa...
متن کاملAb initio Study and NBO Analysis of Conformational Properties of 2-Substituted Cyclohexane-1,3-diones and its Analogues Containing S and Se Atoms
NBO analysis, hybrid density functional theory (B3LYP/6-311+G**) and ab initio molecular orbital (HF/6-311+G**) based methods were used to study the anomeric effects (AE), electrostatic interactions, dipole-dipole interactions and steric repulsion effects on the conformational properties of 2-methoxy- (1), 2-methylthio- (2), 2-methylseleno- (3), 2-fluoro- (4), 2-chloro- (5) and 2-bromocyclohexa...
متن کاملProtein Stability, Folding, Disaggregation and Etiology of Conformational Malfunctions
Estimation of protein stability is important for many reasons: first providing an understanding of the basic thermodynamics of the process of folding, protein engineering, and protein stability plays important role in biotechnology especially in food and protein drug design. Today, proteins are used in many branches, including industrial processes, pharmaceutical industry, and medical fields. A...
متن کامل