Interactions and Molecular Docking Studies of Cefonicid Sodium with Papain Amino Acid Residues
International Journal of Computational and Theoretical Chemistry
Volume 7, Issue 1, June 2019, Pages: 14-21
Received: Jan. 17, 2019;
Accepted: Feb. 25, 2019;
Published: Mar. 20, 2019
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Xu Cheng, College of Chemistry & Environmental Science, Hebei University, Baoding, China
Baosheng Liu, College of Chemistry & Environmental Science, Hebei University, Baoding, China
Hongcai Zhang, College of Chemistry & Environmental Science, Hebei University, Baoding, China
Chundan Wang, College of Chemistry & Environmental Science, Hebei University, Baoding, China
This study aims to investigate the interaction between cefonicid sodium (CFS) and papain (PAPA) using fluorescence spectroscopy, synchronous fluorescence spectroscopy and molecular docking methods. The results indicated that the fluorescence intensity of PAPA was decreased considerably upon the addition of CFS through a static quenching mechanism. Synchronous fluorescence spectroscopy studies showed that the combination of CFS and PAPA could change the conformation of PAPA. At the temperature of 293 K, there was a good linear relationship between the fluorescence intensity of the system and the concentration of CFS in the range of 6.0×10-6 to 1.0×10-4 mol/L and the detection limit of the method was 3.05×10-6 mol/L (n=10). From the results of the thermodynamic constant and molecular model analysis, it could be inferred that the CFS and PAPA molecules mainly combine by electrostatic attraction and hydrogen bonding. The binding model was established based on the experimental data, and the binding rate data of CFS and PAPA was obtained. The results showed that taking PAPA while taking CFS was safe.
Interactions and Molecular Docking Studies of Cefonicid Sodium with Papain Amino Acid Residues, International Journal of Computational and Theoretical Chemistry.
Vol. 7, No. 1,
2019, pp. 14-21.
Liu XY, Zeng HY, Liao MC, Gohi BFCA and Feng B. RSC Advances, 2015, 5, 68906-68913.
Wei DH, Huang XQ, Liu JJ, Tang MS, Zhan CG. Biochemistry, 2013, 52, 5145-5154.
Esti M, Benucci I, Lombardelli C, Liburdi K, Garzillo AMV. Food. Bioprod. Proc, 2013, 91, 595-598.
Ashie INA, Sorensen TL, Nielsen PM. Journal of Food Science, 2010, 67, 2138-2142.
Zheng K, Yang H. Biological Chemical Engineering, 2017, 3, 109-110.
Wang J, Xu Y, Zhang Y, Wang H, Zhong W. Rapid Communications in Mass Spectrometry, 2017, 31, 1541-1550.
Duan ST, Liu BS, Li ZY, Jia X, Lu JN. Spectroscopy Letters, 2016, 49, 426-33.
Steiner R F, Weinryb I. Springer US, 1971.
Wang GK, Xi H, Tian F, Han MY, Lu Y. Acta Chimica Sinica, 2011, 69, 95-100.
Gökoğlu E, Yılmaz E. Journal of Fluorescence, 2014, 24, 1439-1445.
Zhang XF, Yang G, Dong Y, Zhao YQ, Sun XR, Chen L, Chen HB. Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 2015, 137, 1280-1285.
Zhang LH, Liu BS, Li ZY, Guo Y. Asian Journal of Chemistry, 2015, 30, 686-692.
Zhai M, Wu HL, Zhang XH, Sun YM, Yu RQ. Science China-Chemistry, 2014, 57, 748-754.
Zhao XC, Sheng F, Zheng JL, Liu RT. Journal of Agricultural & Food Chemistry, 2011, 59, 7902-7909.
Zhao XC, Liu RT, Teng Y, Liu XF. Science of the Total Environment, 2011, 409, 892-897.
Jahanban-Esfahlan A, Panahi-Azar V, Sajedi S. Food Chemistry, 2016, 202, 426-431.
Naveenraj S, Anandan S. Journal of Photochemistry & Photobiology C Photochemistry Reviews, 2013, 14: 53-71.
Gaudet M, Remtulla N, Jackson SE, Main ER, Bracewell DG, Aeppli G, Dalby PA. Protein Science, 2010, 19, 1544-1554.
Liu BS, Xue CL, Wang J, Yang C, Zhao FL, Lv YK. Journal of Luminescence, 2010, 130, 1999-2003.
Hu YY, Xu SQ, Zhu XS, Gong AQ. Spectrochimica Acta Part A Molecular & Biomolecular Spectroscopy, 2009, 74, 526-531.
Zhao XC, Lu DW, Fang H, Liu RT. Journal of Hazardous Materials, 2015, 292, 98-107.
Bani-Yaseen AD. Journal of Luminescence, 2011, 131, 1042-1047.
Wang YQ, Zhang HM, Zhou QH. European Journal of Medicinal Chemistry, 2009, 44, 2100-2015.
Bojko B, Sulkowska A, Maciazek-Jurczyk M, Równicka J, Sułkowski WW. Journal of Pharmaceutical & Biomedical Analysis, 2010, 52, 384-390.
Liu BS, Wang J, Xue CL, Yang C, Lv YK. Z. Phys. Chem, 2011, 225, 455-468.
Khan AB, Khan JM, Ali MS, Khan RH, Kabir-ud-Din. Spectrochimica Acta Part A Molecular & Biomolecular Spectroscopy, 2012, 97, 119-124.
Cao SN, Liu BS, Li ZY, Chong BH. Journal of Luminescence, 2014, 145, 94-99.
Liu YY, Zhang GW, Liao YJ, Wang YP. Spectrochimica Acta Part A Molecular & Biomolecular Spectroscopy, 2015, 151, 498-505.
Gong AQ, Zhu XS, Hu YY, Yu SH. Talanta, 2007, 73, 668-673.
Iovescu A, Băran A, Stîngă G, Cantemir-Leontieş AR, Maxim ME, Anghel DF. Journal of Photochemistry & Photobiology B Biology, 2015, 153, 198-205.
Jana S, Dalapati S, Ghosh S, Guchhait N. Journal of Photochemistry & Photobiology B Biology, 2012, 112, 48-58.
Liu BS, Cao SN, Li ZY, Zhong BH. Chinese Journal of Luminescence, 2013, 34, 488-493.