BSA-binding studies of 2- and 4-ferrocenylbenzonitrile: voltammetric, spectroscopic and molecular docking investigations
The binding affinity of 2-ferrocenylbenzonitrile (2FBN) and 4-ferrocenylbenzonitrile (4FBN) with bovine serum albumin (BSA) has been investigated by cyclic voltammetry, absorption spectroscopy and molecular modelling techniques. The results indicated that both of the two derivatives could bind to B...
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| Format: | Article |
| Language: | English |
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International Association of Physical Chemists (IAPC)
2020-07-01
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| Series: | Journal of Electrochemical Science and Engineering |
| Subjects: | |
| Online Access: | https://pub.iapchem.org/ojs/index.php/JESE/article/view/861 |
| _version_ | 1819268195488366592 |
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| author | Hacen Benamara Touhami Lanez Elhafnaoui Lanez |
| author_facet | Hacen Benamara Touhami Lanez Elhafnaoui Lanez |
| author_sort | Hacen Benamara |
| collection | DOAJ |
| description | The binding affinity of 2-ferrocenylbenzonitrile (2FBN) and 4-ferrocenylbenzonitrile (4FBN) with bovine serum albumin (BSA) has been investigated by cyclic voltammetry, absorption spectroscopy and molecular modelling techniques. The results indicated that both of the two derivatives could bind to BSA and cause conformational changes with the order 2FBN > 4FBN. The voltammetric behavior of 2FBN and 4FBN before and after the addition of the BSA suggests that the redox process is kinetically controlled by the diffusion step, and demonstrated that the diffusion coefficients of the 2FBN-BSA and 4-FBN-BSA adducts are lower than that of the free compounds. Furthermore, molecular docking suggested that the binding mode of the two compounds to BSA is of hydrophobic and hydrogen bond interactions, moreover the ligand 2FBN additionally show a π-cation interaction. |
| first_indexed | 2024-12-23T21:29:12Z |
| format | Article |
| id | doaj.art-e18df32470584258aa23f9231f010e74 |
| institution | Directory Open Access Journal |
| issn | 1847-9286 |
| language | English |
| last_indexed | 2024-12-23T21:29:12Z |
| publishDate | 2020-07-01 |
| publisher | International Association of Physical Chemists (IAPC) |
| record_format | Article |
| series | Journal of Electrochemical Science and Engineering |
| spelling | doaj.art-e18df32470584258aa23f9231f010e742022-12-21T17:30:31ZengInternational Association of Physical Chemists (IAPC)Journal of Electrochemical Science and Engineering1847-92862020-07-0110433534610.5599/jese.861861BSA-binding studies of 2- and 4-ferrocenylbenzonitrile: voltammetric, spectroscopic and molecular docking investigationsHacen Benamara0Touhami Lanez1Elhafnaoui Lanez2University of El Oued, Chemistry Department, VTRS Laboratory, B.P.789, 39000, El Oued, AlgeriaUniversity of El Oued, Chemistry Department, VTRS Laboratory, B.P.789, 39000, El Oued, AlgeriaUniversity of El Oued, Chemistry Department, VTRS Laboratory, B.P.789, 39000, El Oued, AlgeriaThe binding affinity of 2-ferrocenylbenzonitrile (2FBN) and 4-ferrocenylbenzonitrile (4FBN) with bovine serum albumin (BSA) has been investigated by cyclic voltammetry, absorption spectroscopy and molecular modelling techniques. The results indicated that both of the two derivatives could bind to BSA and cause conformational changes with the order 2FBN > 4FBN. The voltammetric behavior of 2FBN and 4FBN before and after the addition of the BSA suggests that the redox process is kinetically controlled by the diffusion step, and demonstrated that the diffusion coefficients of the 2FBN-BSA and 4-FBN-BSA adducts are lower than that of the free compounds. Furthermore, molecular docking suggested that the binding mode of the two compounds to BSA is of hydrophobic and hydrogen bond interactions, moreover the ligand 2FBN additionally show a π-cation interaction.https://pub.iapchem.org/ojs/index.php/JESE/article/view/861cyclic voltammetrymodellingin silicoin vitro.ferrocene derivativesbinding constantinteractions |
| spellingShingle | Hacen Benamara Touhami Lanez Elhafnaoui Lanez BSA-binding studies of 2- and 4-ferrocenylbenzonitrile: voltammetric, spectroscopic and molecular docking investigations Journal of Electrochemical Science and Engineering cyclic voltammetry modelling in silico in vitro. ferrocene derivatives binding constant interactions |
| title | BSA-binding studies of 2- and 4-ferrocenylbenzonitrile: voltammetric, spectroscopic and molecular docking investigations |
| title_full | BSA-binding studies of 2- and 4-ferrocenylbenzonitrile: voltammetric, spectroscopic and molecular docking investigations |
| title_fullStr | BSA-binding studies of 2- and 4-ferrocenylbenzonitrile: voltammetric, spectroscopic and molecular docking investigations |
| title_full_unstemmed | BSA-binding studies of 2- and 4-ferrocenylbenzonitrile: voltammetric, spectroscopic and molecular docking investigations |
| title_short | BSA-binding studies of 2- and 4-ferrocenylbenzonitrile: voltammetric, spectroscopic and molecular docking investigations |
| title_sort | bsa binding studies of 2 and 4 ferrocenylbenzonitrile voltammetric spectroscopic and molecular docking investigations |
| topic | cyclic voltammetry modelling in silico in vitro. ferrocene derivatives binding constant interactions |
| url | https://pub.iapchem.org/ojs/index.php/JESE/article/view/861 |
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