THE SURVEY OF TENDENCY OF VALINOMYCIN FOR BINDING TO DIFFERENT CATIONS USING MOLECULAR MECHANICS METHOD

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SAFIRZADE M.; SABZIYAN H.

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Journal: Internal Medicine Today Year:2003 | Volume:9 | Issue:1 Page(s): 45-49

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Title

THE SURVEY OF TENDENCY OF VALINOMYCIN FOR BINDING TO DIFFERENT CATIONS USING MOLECULAR MECHANICS METHOD

Author(s)

SAFIRZADE M. | SABZIYAN H. | Issue Writer Certificate

Keywords

VALINOMYCIN - CATION - MOLECULAR MECHANICSQ4

Abstract

Introduction & objectives: The survey of permeability processes in membrane on a molecular level is one of the central topics in biophysics and biochemistry. The antibiotic valinomycin is a carrier ionophore that is useful experimental tool in studying transport phenomena. It has a hydrophobic exterior that makes it soluble in the membrane, and a hydrophilic core to which a single K + ion binds. This research was done to survey the tendency of valinomycin for binding to dtfferent cations using molecular mechanics method. Methodology: In this survey a suitable computer was used. Hyperchem program, molecular mechanics method and AMBER force field were used to determine geometry optimized structures) ralative cation binding energies and selectivity ratios to explain preference of valinomycin for hosting Na+, K+, Mg++ or Ca++. Results: The results obtained of molecular mechanics calculations show that volume of the complexes are not identical. The folding of the host valinomycin is dependent on the choice of the guest cation. The theoretical binding energy obtained for the valinomycin-K + is lesser ralative to other complexes. Therefore it is more stable. Selectivity ratio of valinomycin for K + is much more than other ions. Therefore valinomycin has an extremely high selectivity of K + . Conclusion: These results were found to be in good agreement with earlier experimental studies. Relative ion-valinomycin binding energies extracted from the molecular mechanics data are able to qualitatively explain the experimentally observed preference of valinomycin for hosting K + over other ions.

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APA: Copy

SAFIRZADE, M., & SABZIYAN, H.. (2003). THE SURVEY OF TENDENCY OF VALINOMYCIN FOR BINDING TO DIFFERENT CATIONS USING MOLECULAR MECHANICS METHOD. OFOGH-E-DANESH, 9(1), 45-49. SID. https://sid.ir/paper/68778/en

Vancouver: Copy

SAFIRZADE M., SABZIYAN H.. THE SURVEY OF TENDENCY OF VALINOMYCIN FOR BINDING TO DIFFERENT CATIONS USING MOLECULAR MECHANICS METHOD. OFOGH-E-DANESH[Internet]. 2003;9(1):45-49. Available from: https://sid.ir/paper/68778/en

IEEE: Copy

M. SAFIRZADE, and H. SABZIYAN, “THE SURVEY OF TENDENCY OF VALINOMYCIN FOR BINDING TO DIFFERENT CATIONS USING MOLECULAR MECHANICS METHOD,” OFOGH-E-DANESH, vol. 9, no. 1, pp. 45–49, 2003, [Online]. Available: https://sid.ir/paper/68778/en

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