Studying the interaction of drug/ligand with serum albumin

Siddiqui, Sharmin; Ameen, Faisal; Rehman, Sufia; Sarwar, Tarique; Tabish, Mohammad

doi:10.1016/j.molliq.2021.116200

Cited by 99 publications

(38 citation statements)

References 72 publications

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“…Over the last years, in silico tools have been employed to elucidate the binding mechanism of drugs and other exogenous ligands with HSA [53,72]. Docking analysis is a widely applied approach, which uses algorithms to predict how small molecules interact with different proteins at an atomic level.…”

Section: In Silico Methodsmentioning

confidence: 99%

“…Various softwares are available to perform docking between protein and drug/ligand, such as AutoDock 4.0, AutoDock 4.2, AutoDock vina, Hex 8.0, BSP SLIM online, and others. Among all, AutoDock is commonly used to perform docking [72]. Then, the lowest binding energy docking poses of each compound are chosen for performing the docking analysis [167].…”

Section: In Silico Methodsmentioning

confidence: 99%

“…Some very valuable protein binding spectroscopic techniques (UV-visible, fluorescence, nuclear magnetic resonance, optical rotatory dispersion, circular dichroism) or calorimetric techniques (isothermal titration calorimetry and differential scanning calorimetry) will not be covered. We choose to limit the scope of the review in this manner since, Siddiqui et al [72] recently reviewed those techniques.…”

Section: Determination Of Protein Binding Affinity Of Drugsmentioning

confidence: 99%

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Enantioresolution and Binding Affinity Studies on Human Serum Albumin: Recent Applications and Trends

et al. 2021

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The interaction between proteins and drugs or other bioactive compounds has been widely explored over the past years. Several methods for analysis of this phenomenon have been developed and improved. Nowadays, increasing attention is paid to innovative methods, such as high performance affinity liquid chromatography (HPALC) and affinity capillary electrophoresis (ACE), taking into account various advantages. Moreover, the development of separation methods for the analysis and resolution of chiral drugs has been an area of ongoing interest in analytical and medicinal chemistry research. In addition to bioaffinity binding studies, both HPALC and ACE al-low one to perform other type of analyses, namely, displacement studies and enantioseparation of racemic or enantiomeric mixtures. Actually, proteins used as chiral selectors in chromatographic and electrophoretic methods have unique enantioselective properties demonstrating suitability for the enantioseparation of a large variety of chiral drugs or other bioactive compounds. This review is mainly focused in chromatographic and electrophoretic methods using human serum albumin (HSA), the most abundant plasma protein, as chiral selector for binding affinity analysis and enantioresolution of drugs. For both analytical purposes, updated examples are presented to highlight recent applications and current trends.

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Section: In Silico Methodsmentioning

confidence: 99%

Section: In Silico Methodsmentioning

confidence: 99%

Section: Determination Of Protein Binding Affinity Of Drugsmentioning

confidence: 99%

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Enantioresolution and Binding Affinity Studies on Human Serum Albumin: Recent Applications and Trends

et al. 2021

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“…UV-VIS spectra of BSA and the cyclitols and 3D-fluorescence spectra of the cyclitols and solvent are shown in the Supplementary Materials (Figure S1) and (Figure S2) , respectively). Shikimic acid and D-( – )-quinic acid had a high level of absorption at 225 nm; thus, the fluorescence quenching of Peak 1 may have been burdened by the inner-filter effect [ 51 ]. Nevertheless, the cyclitols exhibited no light absorption at 280 nm.…”

Section: Resultsmentioning

confidence: 99%

The Study of Protein–Cyclitol Interactions

Dyrda-Terniuk

Sugajski

Pryshchepa

et al. 2022

IJMS

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Investigation of interactions between the target protein molecule and ligand allows for an understanding of the nature of the molecular recognition, functions, and biological activity of protein–ligand complexation. In the present work, non-specific interactions between a model protein (Bovine Serum Albumin) and four cyclitols were investigated. D-sorbitol and adonitol represent the group of linear-structure cyclitols, while shikimic acid and D-(–)-quinic acid have cyclic-structure molecules. Various analytical methods, including chromatographic analysis (HPLC-MS/MS), electrophoretic analysis (SDS-PAGE), spectroscopic analysis (spectrofluorimetry, Fourier transform infrared spectroscopy, and Raman spectroscopy), and isothermal titration calorimetry (ITC), were applied for the description of protein–cyclitol interactions. Additionally, computational calculations were performed to predict the possible binding places. Kinetic studies allowed us to clarify interaction mechanisms that may take place during BSA and cyclitol interaction. The results allow us, among other things, to evaluate the impact of the cyclitol’s structure on the character of its interactions with the protein.

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“…Although the values of the binding constants listed above reveal that the interactions between the different UTs and HSA are relatively weak, it is important to note that the intensity of interaction and the stability of the resulting HSA-UT complex is strongly influenced by the surrounding microenvironment. Several studies on the binding mechanisms of HAS and UTs and pharmaceutical drugs have shown that the binding properties of HAS are strongly affected by factors such as temperature [ 78 ], hydrophobicity [ 79 ], pH [ 80 ], and ionic strength [ 81 ]. Furthermore, it has been shown that when studying the binding of a specific protein ligand, the interactive association of other UTs as well as pharmaceutical drugs that bind simultaneously to HSA can change the HSA binding properties and potentially modulate the final HSA-ligand binding mechanism [ 82 ].…”

Section: Uts Binding To Serum Albuminmentioning

confidence: 99%

Interaction of Human Serum Albumin with Uremic Toxins: The Need of New Strategies Aiming at Uremic Toxins Removal

et al. 2022

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Chronic kidney disease (CKD) is acknowledged worldwide to be a grave threat to public health, with the number of US end-stage kidney disease (ESKD) patients increasing steeply from 10,000 in 1973 to 703,243 in 2015. Protein-bound uremic toxins (PBUTs) are excreted by renal tubular secretion in healthy humans, but hardly removed by traditional haemodialysis (HD) in ESKD patients. The accumulation of these toxins is a major contributor to these sufferers’ morbidity and mortality. As a result, some improvements to dialytic removal have been proposed, each with their own upsides and drawbacks. Longer dialysis sessions and hemodiafiltration, though, have not performed especially well, while larger dialyzers, coupled with a higher dialysate flow, proved to have some efficiency in indoxyl sulfate (IS) clearance, but with reduced impact on patients’ quality of life. More efficient in removing PBUTs was fractionated plasma separation and adsorption, but the risk of occlusive thrombosis was worryingly high. A promising technique for the removal of PBUTs is binding competition, which holds great hopes for future HD. This short review starts by presenting the PBUTs chemistry with emphasis on the chemical interactions with the transport protein, human serum albumin (HSA). Recent membrane-based strategies targeting PBUTs removal are also presented, and their efficiency is discussed.

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Studying the interaction of drug/ligand with serum albumin

Cited by 99 publications

References 72 publications

Enantioresolution and Binding Affinity Studies on Human Serum Albumin: Recent Applications and Trends

Enantioresolution and Binding Affinity Studies on Human Serum Albumin: Recent Applications and Trends

The Study of Protein–Cyclitol Interactions

Interaction of Human Serum Albumin with Uremic Toxins: The Need of New Strategies Aiming at Uremic Toxins Removal

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