Journal article
Investigating the interaction of anticancer drug temsirolimus with human transferrin: Molecular docking and spectroscopic approach
Journal of molecular recognition, Vol.31(10), pp.e2728-n/a
10/01/2018
DOI: 10.1002/jmr.2728
PMID: 29770561
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 298K with a binding constant of .32x10(4)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 find out which residues are key players in this interaction. The importance of our study stems from the fact it will provide an insight into binding pattern of commonly administered renal cancer drug with an important protein that plays a pivotal role in many physiological processes.
Details
- Title: Subtitle
- Investigating the interaction of anticancer drug temsirolimus with human transferrin: Molecular docking and spectroscopic approach
- Creators
- Anas Shamsi - Aligarh Muslim UniversityAzaj Ahmed - Aligarh Muslim UniversityMohd Shahnawaz Khan - King Saud UniversityFohad Mabood Husain - King Saud UniversitySamreen Amani - Aligarh Muslim UniversityBilqees Bano - Aligarh Muslim University
- Resource Type
- Journal article
- Publication Details
- Journal of molecular recognition, Vol.31(10), pp.e2728-n/a
- DOI
- 10.1002/jmr.2728
- PMID
- 29770561
- NLM abbreviation
- J Mol Recognit
- ISSN
- 0952-3499
- eISSN
- 1099-1352
- Publisher
- Wiley
- Number of pages
- 7
- Grant note
- RGP-215 / Deanship of Scientific Research at the KSU; King Saud University
- Language
- English
- Date published
- 10/01/2018
- Academic Unit
- Internal Medicine
- Record Identifier
- 9985178669402771
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