Chemometrics assisted-electrochemical investigation of the binding and inhibition of calcineurin by tacrolimus: A combinatorial study
In this article, we are going to report results of one our studies focused on investigation of the binding and inhibition of the calcineurin (CAL) by tacrolimus (TCL) with the help of electrochemical techniques which have been assisted by chemometric methods. Our study was divided to several section...
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| Format: | Article |
| Language: | English |
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Elsevier
2021-12-01
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| Series: | Sensing and Bio-Sensing Research |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2214180421000647 |
| _version_ | 1818461907463438336 |
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| author | Ali R. Jalalvand |
| author_facet | Ali R. Jalalvand |
| author_sort | Ali R. Jalalvand |
| collection | DOAJ |
| description | In this article, we are going to report results of one our studies focused on investigation of the binding and inhibition of the calcineurin (CAL) by tacrolimus (TCL) with the help of electrochemical techniques which have been assisted by chemometric methods. Our study was divided to several sections where the first section was focused on recording different instrumental electrochemical data to extract some information. Next section was devoted to the analysis of recorded electrochemical data by hard- and soft-modeling chemometric algorithms for extracting new information and also to verify results obtained by direct analysis of the electrochemical data. The next section was focused on molecular docking techniques to extract theoretical information to verify the information obtained by experimental sections and fortunately, the results of different sections confirmed each other and recommended inhibition of the CAL by TCL. We could compute n and binding constant (Kb) which were 2 and 2.33 × 104 mol−1 L, respectively. Finally, we have developed an amperometric technique based on binding and inhibition of the CAL by TCL to determine CAL. |
| first_indexed | 2024-12-14T23:53:36Z |
| format | Article |
| id | doaj.art-5ffb5c998d6a44dca6f10644ac7054f3 |
| institution | Directory Open Access Journal |
| issn | 2214-1804 |
| language | English |
| last_indexed | 2024-12-14T23:53:36Z |
| publishDate | 2021-12-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Sensing and Bio-Sensing Research |
| spelling | doaj.art-5ffb5c998d6a44dca6f10644ac7054f32022-12-21T22:43:10ZengElsevierSensing and Bio-Sensing Research2214-18042021-12-0134100459Chemometrics assisted-electrochemical investigation of the binding and inhibition of calcineurin by tacrolimus: A combinatorial studyAli R. Jalalvand0Corresponding author.; Research Center of Oils and Fats, Research Institute for Health Technology, Kermanshah University of Medical Sciences, Kermanshah, IranIn this article, we are going to report results of one our studies focused on investigation of the binding and inhibition of the calcineurin (CAL) by tacrolimus (TCL) with the help of electrochemical techniques which have been assisted by chemometric methods. Our study was divided to several sections where the first section was focused on recording different instrumental electrochemical data to extract some information. Next section was devoted to the analysis of recorded electrochemical data by hard- and soft-modeling chemometric algorithms for extracting new information and also to verify results obtained by direct analysis of the electrochemical data. The next section was focused on molecular docking techniques to extract theoretical information to verify the information obtained by experimental sections and fortunately, the results of different sections confirmed each other and recommended inhibition of the CAL by TCL. We could compute n and binding constant (Kb) which were 2 and 2.33 × 104 mol−1 L, respectively. Finally, we have developed an amperometric technique based on binding and inhibition of the CAL by TCL to determine CAL.http://www.sciencedirect.com/science/article/pii/S2214180421000647CalcineurinTacrolimusInhibition |
| spellingShingle | Ali R. Jalalvand Chemometrics assisted-electrochemical investigation of the binding and inhibition of calcineurin by tacrolimus: A combinatorial study Sensing and Bio-Sensing Research Calcineurin Tacrolimus Inhibition |
| title | Chemometrics assisted-electrochemical investigation of the binding and inhibition of calcineurin by tacrolimus: A combinatorial study |
| title_full | Chemometrics assisted-electrochemical investigation of the binding and inhibition of calcineurin by tacrolimus: A combinatorial study |
| title_fullStr | Chemometrics assisted-electrochemical investigation of the binding and inhibition of calcineurin by tacrolimus: A combinatorial study |
| title_full_unstemmed | Chemometrics assisted-electrochemical investigation of the binding and inhibition of calcineurin by tacrolimus: A combinatorial study |
| title_short | Chemometrics assisted-electrochemical investigation of the binding and inhibition of calcineurin by tacrolimus: A combinatorial study |
| title_sort | chemometrics assisted electrochemical investigation of the binding and inhibition of calcineurin by tacrolimus a combinatorial study |
| topic | Calcineurin Tacrolimus Inhibition |
| url | http://www.sciencedirect.com/science/article/pii/S2214180421000647 |
| work_keys_str_mv | AT alirjalalvand chemometricsassistedelectrochemicalinvestigationofthebindingandinhibitionofcalcineurinbytacrolimusacombinatorialstudy |