Open Access Open Access  Restricted Access Subscription or Fee Access

Theoretical Investigation of the Interactions between Cytochrome C and Some Heavy Metal Ions: A Biophysical Analysis

Recep Akkaya

Abstract


Cytochrome c is located in mitochondria and has an important role in ATP synthesis. In addition to this, this molecule plays an important role in the conversion to water molecule of molecular oxygen. Using chemical equalization principles about chemical hardness and electronegativity concepts, the power of the interactions between chemical compounds, metals and ligands. In the present study, we theoretically analyzed electron transfer mechanisms and the power of the interactions between Cytochrome C and some heavy metal ions. In addition, we investigated the agreement with Hard and Soft Acid-Base Principle of calculated data. In the calculation of the electron transfer values between Cytochrome C and the mentioned metal ions, Pearson-Parr equation was used. In the calculations made for single cytochrome c and its some heavy metal complexes, Gaussian Program was used and via HOMO (highest occupied molecular orbital) and LUMO (lowest unoccupied molecular orbital) values and using Koopmans Theorem, DFT parameters were calculated. The results obtained showed that the chemical interaction cytochrome c and Hg2+ ions is very strong and this complex is more stable compared to other molecule studied. It is biophysically important that heavy metal ions interact with Cytochrome C and have a negative impact on the functionality of this molecule.

Keywords: biophysical analysis, cytochrome c, HSAB, DFT (density functional theory), redox potentials

Cite this Article: Recep Akkaya. Theoretical Investigation of the Interactions between Cytochrome C and Some Heavy Metal Ions: A Biophysical Analysis. International Journal of Industrial Biotechnology and Biomaterials. 2019; 5(2): 27–31p.


Keywords


Cytochrome c, HSAB, Biophysical analysis

Full Text:

PDF

References


A. Betts, M.O. Kaltz, M.E. Hochberg, Back to the future: evolving bacteriophages to

increase their effectiveness against the pathogen Pseudomonas aeruginosa PAO1, Evol. Appl. 6 (2013)1054–1063. doi: 10.1111/eva.12085

I. Chopra, The 2012 Garrod lecture: Discovery of antibacterial drugs in the 21st century, J. Antimicrob. Chemother. 68 (2013)496–505. doi: 10.1093/jac/dks436.

M. Prudhomme, J. Guyot, G. Jeminet, Semi-synthesis of A23187 (calcimycin)

analogs. IV. Cation carrier properties in mitochondria of analogs with modified benzoxazole rings Antimicrobial activity, J. Antibiot. (Tokyo) 39 (1986)934–937. DOI:10.7164/antibiotics.39.934

M. Arisoy, O. Temiz-Arpaci, I. Yildiz, F. Kaynak-Onurdag, E. Aki, I. Yalcin, U.

Abbasoglu, Synthesis, antimicrobial activity and QSAR studies of 2,5-disubstituted benzoxazoles, SARQSAR Environ. Res. 19 (2008)589-612. DOI:10.1080/10629360802348738

M. Arisoy, O. Temiz-Arpaci, F. Kaynak-Onurdag, S. Ozgen,Synthesis and

antimicrobial activity of novel benzoxazoles, Z. Naturforsch. 67C (2012)466–472. http://www.znaturforsch.com/s67c/s67c0466.pdf

O.Temiz-Arpaci, B. E.C. Goztepe, F. Kaynak-Onurdag, S. Ozgen, F.S. Senol,

I. Erdogan Orhan, Synthesis and different biological activities of novel benzoxazoles, Acta Biol. Hung. 64 (2013)249–261. doi.org/10.1556/ABiol.64.2013.2.10

M. Arisoy, O. Temız-Arpaci, F. Kaynak-Onurdag, S. Ozgen, Synthesis and antimicrobial evaluation of 2-(p-substituted phenyl)-5-[(4-substituted piperazin-1-yl)acetamido]-benzoxazoles, Z Naturforsch, 69C (2014) 368-374. DOI: 10.5560/ZNC.2014-0024

M.J.Don, C.C.Shen, Y.L.Lin, W.J.Syu, Y.H.Ding, C.M.Sun, Nitrogen containing

compounds from salvia militorrhiza, J. Nat. Prod. 68 (2005) 1066-1070. doi.org/10.1021/np0500934

J.Easmon, G.Purstinger, K.S.Thies, G.Heinisch, J.Hofmann, Synthesis, structure

activity relationships and antitumor studies of 2-benzoxazolyl hydrazones derived from alpha-(N)-acyl heteroaromatics, J. Med. Chem. 49 (2006) 6343-6350. doi.org/10.1021/jm060232u

Y.S.Mary, N.Z.Alzoman, V.V.Menon, E.S.Al-Abdullah, A.A.El-Emam,C.Y.Panicker, O.Temiz-Arpaci, S.Armakovic, S.J.Armakovic, C.Van Alsenoy, Reactive, spectroscopic and antimicrobial assessments of 5-[(4-methylphenyl)acetamido]-2-(4-tert-butylphenyl)benzoxazole: combined experimental and computational study, J. Mol. Struct. 1128 (2017) 694-706. doi.org/10.1016/j.molstruc.2016.09.024

Y.S.Mary, M.M.Al-Shehri, K.Jalaja, F.A.M.Al-Omary, A.A.El-Emam,C.Y.Panicker, S.Armakovic, S.J.Armakovic, O.Temiz-Arpaci, C.Van Alsenoy, Synthesis, vibrational spectroscopic investigations, molecular docking, antibacterial studies and molecular dynamics study of 5-[(4-nitrophenyl)acetamido]-2-(4-tert-butylphenyl)benzoxazole, J. Mol. Struct. 1133 (2017) 557-573. doi.org/10.1016/j.molstruc.2016.12.020

Y.S.Mary, K.Raju, T.E.Bolelli, I.Yildiz, H.I.S.Nogueira, C.M.Granadeiro, C.Van

Alsenoy, FT-IR, FT-Raman, surface enhanced Raman scattering and computational study of 2-(p-fluorobenzyl)-6-nitrobenzoxazole, J. Mol. Struct. 1012 (2012) 22-30. doi.org/10.1016/j.molstruc.2011.12.042

V.V.Aswathy, S.Alper-Hayta, G.Yalcin, Y.S.Mary, C.Y.Panicker, PJ.Jojo, F.

Kaynak-Ondurg, S.Armakovic, S.J.Armakovic, I.Yildiz, C.Van Alsenoy, Modification of benzoxazole derivative by bromine-spectroscopic, antibacterial and reactivity study using experimental and theoretical procedure, J. Mol. Struct. 1141 (2017) 495-511. doi.org/10.1016/j.molstruc.2017.04.010

K.Jalaja, M.A.Al-Alshaikh, Y.S.Mary, C.Y.Panicker, A.A.El-Emam, O.Temiz-

Arpaci, C.Van Alsenoy, Vibrational spectroscopic investigations and molecular docking studies of biologically active 2-[4-(4-phenylbutanamido)phenyl]-5-ethylsulphonyl-benzoxazole, J. Mol. Struct. 1148 (2017) 119-133. doi.org/10.1016/j.molstruc.2017.07.023

S.Beegum, Y.S.Mary, C.Y.Panicker, S.Armakovic, S.J.Armakovic, M.Arisoy, O.

Temiz-Arpaci, C.Van Alsenoy, Spectroscopic, antimicrobial and computational study of novel benzoxazole derivative, J. Mol. Struct. 1176 (2019) 881-894. doi.org/10.1016/j.molstruc.2018.09.019

R. Dennington, T. Keith, J. Millam, Semichem Inc., Shawnee Mission KS,

GaussView, Version 5, 2009.

M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman,

G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J.L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J.A. Montgomery, Jr., J.E. Peralta, F. Ogliaro, M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V.N. Staroverov, T. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J.M. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, R.L. Martin, K. Morokuma, V.G. Zakrzewski, G.A. Voth, P. Salvador, J.J.Dannenberg, S. Dapprich, A.D. Daniels, O. Farkas, J.B. Foresman, J.V. Ortiz, J.Cioslowski, D.J. Fox, Gaussian 09, Revision B.01, Gaussian, Inc., Wallingford CT, 2010.

N.B. Colthup, L.H. Daly, S.E. Wiberly, Introduction of Infrared and Raman

Spectroscopy, Academic Press, New York, 1975.

N.P.G. Roeges, A Guide to the Complete Interpretation of Infrared Spectra of Organic Structures, John Wiley and Sons Inc., New York, 1994.

M.A.Iramain, A.E.Ledesma, S.A.Brandan, Structural properties and vibrational

analysis of Potassium 5-Br-2-isonicotinoyltrifluoroborate salt. Effect of Br on the isonicotinoyl ring, J. Mol. Struct. 1184 (2019) 146-156. doi.org/10.1016/j.molstruc.2019.02.010

M.Minteguiaga, E.Dellacassa, M.A.Iramain, C.A.N.Catalan, S.A.Brandan, FT-IR,

FT-Raman, UV-Vis, NMR and structural studies of carquejyl acetate, a distinctive component of the essential oil from Baccharis trimera (less.) DC. (Asteraceae), J. Mol. Struct. 1177 (2019) 499-510. doi.org/10.1016/j.molstruc.2018.10.010

M.Minteguiaga, E.Dellacassa, M.A.Iramain, C.A.N.Catalan, S.A.Brandan,

Synthesis, Spectroscopic characterization and structural study of carquejiphenol, a 2-Isopropenyl-3-methylphenol derivative with potential medicinal use, Journal of Molecular Structure 1165 (2018) 332-343. doi.org/10.1016/j.molstruc.2018.04.001

Y.S. Mary, C.Y. Panicker, B. Narayana, S. Samshuddin, B.K. Sarojini, C. Van

Alsenoy, FT-IR, molecular structure, HOMO-LUMO, MEP, NBO analysis and first order hyperpolarizability of Methyl 4,4''-difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-carboxylate, Spectrochim. Acta 133 (2014) 480-488. doi.org/10.1016/j.saa.2014.06.031

R.Thomas, Y.S.Mary, K.S.Resmi, B.Narayana, B.K.Sarojini, G.Vijayakumar, C.Van Alsenoy, Two neotric pyrazole compounds as potential anti-cancer agents: Synthesis, electronic structure, physico-chemical properties and docking analysis, J. Mol. Struct. 1181 (2019) 455-466. doi.org/10.1016/j.molstruc.2019.01.003

R.Hakiri, I.Ameur, N.Derbel, Synthesis, X-ray structural, Hirshfeld surface analysis, FTIR, MEP and NBO analysis using DFT study of a 4-chlorobenzylammonium nitrate (C7ClH9N)+(NO3)-, J. Mol. Struct. 1164 (2018) 486-492. doi.org/10.1016/j.molstruc.2018.03.068

R.Thomas, Y.S.Mary, K.S.Resmi, B.Narayana, B.K.Sarojini, S.Armakovic, S.J.Armakovic, G.Vijayakumar, C.Van Alsenoy,B.J.Mohan, Synthesis and spectroscopic study of two new pyrazole derivatives with detailed computational evaluation of their reactivity and pharmaceutical potential, J. Mol. Struct. 1181 (2019) 599-612. doi.org/10.1016/j.molstruc.2019.01.014


Refbacks

  • There are currently no refbacks.