Molecular Interaction of Amino Acid-Based Gemini Surfactant with Human Serum Albumin: Tensiometric, Spectroscopic, and Molecular Docking Study

Abstract

Binding effect and interaction of N,N′-dialkyl cystine based gemini surfactant (GS); 2(C12Cys) with human serum albumin (HSA) were systematically investigated by the techniques such as surface tension measurement, UV−visible spectroscopy, fluorescence spectroscopy, circular dichroism (CD) spectroscopy, and molecular docking studies. The surface tension measurement exhibited that HSA shifted the critical micelle concentration of the 2(C12Cys) GS to the higher side that confirms the complex formation among 2(C12Cys) GS and HSA which was also verified by UV–visible, fluorescence, and CD spectroscopy. Increase in the concentration of 2(C12Cys) GS increases the absorption of the HSA protein but has a reverse effect on the fluorescence intensity. The analysis of UV–visible study with the help of a static quenching method showed that the value acquired for the bimolecular quenching constant (kq) quenches the intrinsic fluorescence of the HSA protein. Synchronous fluorescence spectrometry declared that the induced-binding conformational changes in HSA and CD results explained the variations in the secondary arrangement of the protein in presence of 2(C12Cys) GS. The present study revealed that the interaction between 2(C12Cys) GS and HSA is important for the preparation and properties of medicines. Molecular docking study provides insight into the specific binding site of 2(C12Cys) GS into the sites of HSA.

Iron(III) Complex-Functionalized Gold Nanocomposite as a Strategic Tool for Targeted Photochemotherapy in Red Light

“…The lipophilicity of a drug is an important parameter to determine the distribution of the drug into the target tissue . We have determined the log P of complex 1 and the nanocomposite, 1 -AuNPs, in aqueous DMSO (5% DMSO) in phosphate-buffered saline (PBS) buffer (pH 7.4) using n -octanol.…”

Experimental and Computational Characterisation of the Molecular Interactions between 1‐Butyl‐1‐methyl‐pyrrolidin‐1‐ium bis(trifluoromethanesulphonyl)imide and Human Serum Albumin

“…The surface tension was recorded at 298 K. The temperature was adjusted to 298 K using the GD120 water thermostat with a temperature variability of ±0.15 K. The Teflon multiwell plate containing the small sample tub of 1 ml capacity was used for the measurement of surface tension [13] . The surface tension of IL, [Pyr C 4 NTf 3 − ] in the absence and presence of HSA was recorded within the pre‐micelle to the post‐micellar concentration range of [Pyr C 4 NTf 3 − ] at 298 K and 7.4 pH [8a,14] …”

Self-Assembly of Amphiphilic Compounds as a Versatile Tool for Construction of Nanoscale Drug Carriers

“…One of the most popular routes for modification of amphiphilic compounds and making systems on their basis more biocompatible and bioavailable is the introduction of amino acid fragments into their chemical structures [ 19 ]. These synthetic amino acid-based surfactants are an alternative to ordinary antimicrobial compounds, because they can be obtained from renewable raw materials.…”

“…Amino acid-based amphiphiles are promising in obtaining drugs based on surfactant–protein complexes [ 19 ] and can be used in oil recovery [ 20 ], as nonviral vectors in gene therapy [ 21 ], in cosmetics [ 22 ], etc. The main requirements for the resulting amphiphiles are multifunctionality, low toxicity and biodegradability [ 23 ].…”

“…In line with the biomimetic approach, the introduction of these residues is assumed to improve the biocompatibility and reduce the toxic characteristics of amphiphilic molecules, to contribute to complementary interactions when using in vivo assays, to allow for realizing various aggregate morphological structures (Figure 3), etc. Amino acid-based amphiphiles are promising in obtaining drugs based on surfactant-protein complexes [19] and can be used in oil recovery [20], as nonviral vectors in gene therapy [21], in cosmetics [22], etc. The main requirements for the resulting amphiphiles are multifunctionality, low toxicity and biodegradability [23].…”