An investigation of folic acid-protein association sites and the effect of this association on folic acid self-assembly

Verfasser / Beitragende:
[Rajat Gupta, Prasanta Kalita, Omkar Patil, Sanat Mohanty]
Ort, Verlag, Jahr:
2015
Enthalten in:
Journal of Molecular Modeling, 21/12(2015-12-01), 1-8
Format:
Artikel (online)
ID: 605511772
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024 7 0 |a 10.1007/s00894-015-2847-2  |2 doi 
035 |a (NATIONALLICENCE)springer-10.1007/s00894-015-2847-2 
245 0 3 |a An investigation of folic acid-protein association sites and the effect of this association on folic acid self-assembly  |h [Elektronische Daten]  |c [Rajat Gupta, Prasanta Kalita, Omkar Patil, Sanat Mohanty] 
520 3 |a The contribution of folic acid (FA)-tryptophan interactions to FA-protein association was investigated in the context of using FA as a drug carrier in protein delivery systems. Bovine serum albumin (BSA) and indolicidin were used as model proteins in the study. The FA-BSA complex was characterized by using the Bradford reagent to identify the impact of FA-BSA association on BSA-dye reagent interactions. UV-visible spectroscopic analysis of the FA-BSA mixture showed that the absorbance maximum of BSA-dye reagent occurred at 595nm, even after the association of FA with BSA. This confirms that protonated amino acid groups of the protein are not involved in FA-BSA association. Moreover, molecular dynamics (MD) simulation confirmed the presence of an associative interaction between aromatic moieties in FA and tryptophan moieties in the indolicidin molecule, which disrupted FA self-assembly. An X-ray diffraction (XRD) study showed that there was limited disruption of FA self-assembly after the addition of BSA or tryptophan. This suggests that FA and BSA are compatible and associate with each other. Graphical Abstract Mechanism of folic acid and protein association 
540 |a Springer-Verlag Berlin Heidelberg, 2015 
690 7 |a Folate  |2 nationallicence 
690 7 |a Tryptophan  |2 nationallicence 
690 7 |a Molecular dynamics  |2 nationallicence 
690 7 |a Indolicidin  |2 nationallicence 
690 7 |a Spectroscopy  |2 nationallicence 
700 1 |a Gupta  |D Rajat  |u Department of Chemical Engineering, Indian Institute of Technology Delhi, 110016, New Delhi, India  |4 aut 
700 1 |a Kalita  |D Prasanta  |u Department of Chemical Engineering, Indian Institute of Technology Delhi, 110016, New Delhi, India  |4 aut 
700 1 |a Patil  |D Omkar  |u Department of Chemical Engineering, Indian Institute of Technology Delhi, 110016, New Delhi, India  |4 aut 
700 1 |a Mohanty  |D Sanat  |u Department of Chemical Engineering, Indian Institute of Technology Delhi, 110016, New Delhi, India  |4 aut 
773 0 |t Journal of Molecular Modeling  |d Springer Berlin Heidelberg  |g 21/12(2015-12-01), 1-8  |x 1610-2940  |q 21:12<1  |1 2015  |2 21  |o 894 
856 4 0 |u https://doi.org/10.1007/s00894-015-2847-2  |q text/html  |z Onlinezugriff via DOI 
898 |a BK010053  |b XK010053  |c XK010000 
900 7 |a Metadata rights reserved  |b Springer special CC-BY-NC licence  |2 nationallicence 
908 |D 1  |a research-article  |2 jats 
949 |B NATIONALLICENCE  |F NATIONALLICENCE  |b NL-springer 
950 |B NATIONALLICENCE  |P 856  |E 40  |u https://doi.org/10.1007/s00894-015-2847-2  |q text/html  |z Onlinezugriff via DOI 
950 |B NATIONALLICENCE  |P 700  |E 1-  |a Gupta  |D Rajat  |u Department of Chemical Engineering, Indian Institute of Technology Delhi, 110016, New Delhi, India  |4 aut 
950 |B NATIONALLICENCE  |P 700  |E 1-  |a Kalita  |D Prasanta  |u Department of Chemical Engineering, Indian Institute of Technology Delhi, 110016, New Delhi, India  |4 aut 
950 |B NATIONALLICENCE  |P 700  |E 1-  |a Patil  |D Omkar  |u Department of Chemical Engineering, Indian Institute of Technology Delhi, 110016, New Delhi, India  |4 aut 
950 |B NATIONALLICENCE  |P 700  |E 1-  |a Mohanty  |D Sanat  |u Department of Chemical Engineering, Indian Institute of Technology Delhi, 110016, New Delhi, India  |4 aut 
950 |B NATIONALLICENCE  |P 773  |E 0-  |t Journal of Molecular Modeling  |d Springer Berlin Heidelberg  |g 21/12(2015-12-01), 1-8  |x 1610-2940  |q 21:12<1  |1 2015  |2 21  |o 894