Investigating the interaction of anticancer drug temsirolimus with human transferrin: Molecular docking and spectroscopic approach

Journal of Molecular Recognition : JMR
Anas ShamsiBilqees Bano

Abstract

In our present study, binding between an important anti renal cancer drug temsirolimus and human transferrin (hTF) was investigated employing spectroscopic and molecular docking approach. In the presence of temsirolimus, hyper chromaticity is observed in hTF in UV spectroscopy suggestive of complex formation between hTF and temsirolimus. Fluorescence spectroscopy revealed the occurrence of quenching in hTF in the presence of temsirolimus implying complex formation taking place between hTF and temsirolimus. Further, the mode of interaction between hTF and temsirolimus was revealed to be static by fluorescence quenching analysis at 3 different temperatures. Binding constant values obtained employing fluorescence spectroscopy depicts strong interaction between hTF and temsirolimus; temsirolimus binds to hTF at 298 K with a binding constant of .32 × 104  M-1 implying the strength of this interaction. The negative Gibbs free energy obtained through quenching experiments is evident of the fact that the binding is spontaneous. CD spectra of hTF also showed a downward shift in the presence of temsirolimus as compared with free hTF implying complex formation between hTF and temsirolimus. Molecular docking was performed with a view to fi...Continue Reading

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Citations

Jul 23, 2019·Luminescence : the Journal of Biological and Chemical Luminescence·Hua-Xin ZhangQing-Hua Xia
May 21, 2020·International Journal of Molecular Sciences·Mohd YousufMd Imtaiyaz Hassan
Apr 11, 2021·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·Afroz KhanAnas Shamsi
Jun 11, 2020·Protein and Peptide Letters·Khadega Khamis Moh AlazoumiHumaira Farooqi

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