Spectroscopic and molecular docking study to understand the binding interaction of rosiglitazone with bovine serum albumin in presence of valsartan

Pawar, Satish; Joshi, Rakesh S.; Ottoor, Divya

doi:10.1016/j.jlumin.2018.01.017

Cited by 17 publications

(4 citation statements)

References 28 publications

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“…In previous studies, interactions between pioglitazone and rosiglitazone with serum albumins showed that H bonds were involved in the formation of HSA–drug complexes. Additionally, rosiglitazone was found to bind to bovine serum albumin at Sudlow’s site I, whereas pioglitazone bound with HSA at subdomains IIA and IIIA [33,36].…”

Section: Resultsmentioning

confidence: 99%

“…As the uptake of the drug occurs in an unbound form, the pharmacodynamic property of drug is controlled by the balance of the active concentration of the drug to its reversible binding to HSA [28]. Several HSA–ligand binding experiments revealed the binding affinity (binding constant ( K b )) in the range of ~10 2 to 10 6 M −1 [9,29,30,31,32,33,34,35,36]. For instance, HSA binds pioglitazone with high affinity ( K b = 1.1 × 10 5 M −1 ) [33].…”

Section: Introductionmentioning

confidence: 99%

“…For instance, HSA binds pioglitazone with high affinity ( K b = 1.1 × 10 5 M −1 ) [33]. However, moderate affinity ( K b = 6.25 × 10 2 M −1 ) was determined for the binding of rosiglitazone to a HSA homolog, bovine serum albumin [36]. Thus, it is important that the interaction between 2,4-TZD and HSA is understood.…”

Section: Introductionmentioning

confidence: 99%

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Insight of the Interaction between 2,4-thiazolidinedione and Human Serum Albumin: A Spectroscopic, Thermodynamic and Molecular Docking Study

Rahman

Rehman

Rabbani³

et al. 2019

IJMS

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Thiazolidinedione derivatives (TZDs) have attracted attention because of their pharmacological effects. For example, certain TZDs have been reported to ameliorate type II diabetes by binding and activating PPARs (peroxisome proliferator-activated receptors). Nonetheless, no information is available on the interaction between the heterocyclic 2, 4-thiazolidinedione (2,4-TZD) moiety and serum albumin, which could affect the pharmacokinetics and pharmacodynamics of TZDs. In this study, we investigated the binding of 2,4-TZD to human serum albumin (HSA). Intrinsic fluorescence spectroscopy revealed a 1:1 binding stoichiometry between 2,4-TZD and HSA with a binding constant (Kb) of 1.69 ± 0.15 × 103 M−1 at 298 K. Isothermal titration calorimetry studies showed that 2,4-TZD/HSA binding was an exothermic and spontaneous reaction. Molecular docking analysis revealed that 2,4-TZD binds to HSA subdomain IB and that the complex formed is stabilized by van der Waal’s interactions and hydrogen bonds. Molecular dynamics simulation confirmed the stability of the HSA-TZD complex. Further, circular dichroism and 3D fluorescence studies showed that the global conformation of HSA was slightly altered by 2,4-TZD binding, enhancing its stability. The results obtained herein further help in understanding the pharmacokinetic properties of thiazolidinedione.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Insight of the Interaction between 2,4-thiazolidinedione and Human Serum Albumin: A Spectroscopic, Thermodynamic and Molecular Docking Study

Rahman

Rehman

Rabbani³

et al. 2019

IJMS

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“…In these studies, the model of McGhee and Von Hippel [ 22 ] was used to estimate the binding constant (Kb) from the spectrophotometric data. The interaction by intercalation can be characterized by the hypochromic effect and by the wavelength alteration for the red region (bathochromic effect) [ 23 , 24 , 25 , 26 ], whereas the occurrence of hyperchromism with little or no redshift is associated with electrostatic attachment or interaction with DNA groove (major or minor) [ 27 , 28 ]. According to the absorption results, ACW-02 presented hyperchromism of 47.23% and Kb (M −1 ) = 1.17 × 10 6 in the presence of ctDNA ( Figure 5 ).…”

Section: Resultsmentioning

confidence: 99%

ACW-02 an Acridine Triazolidine Derivative Presents Antileishmanial Activity Mediated by DNA Interaction and Immunomodulation

et al. 2023

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The present study proposed the synthesis of a novel acridine derivative not yet described in the literature, chemical characterization by NMR, MS, and IR, followed by investigations of its antileishmanial potential. In vitro assays were performed to assess its antileishmanial activity against L. amazonensis strains and cytotoxicity against macrophages through MTT assay and annexin V-FITC/PI, and the ability to perform an immunomodulatory action using CBA. To investigate possible molecular targets, its interaction with DNA in vitro and in silico targets were evaluated. As results, the compound showed good antileishmanial activity, with IC50 of 6.57 (amastigotes) and 94.97 (promastigotes) µg mL−1, associated with non-cytotoxicity to macrophages (CC50 > 256.00 µg mL−1). When assessed by flow cytometry, 99.8% of macrophages remained viable. The compound induced an antileishmanial effect in infected macrophages and altered TNF-α, IL-10 and IL-6 expression, suggesting a slight immunomodulatory activity. DNA assay showed an interaction with the minor grooves due to the hyperchromic effect of 47.53% and Kb 1.17 × 106 M−1, and was sustained by docking studies. Molecular dynamics simulations and MM-PBSA calculations propose cysteine protease B as a possible target. Therefore, this study demonstrates that the new compound is a promising molecule and contributes as a model for future works.

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New insights into the toxic interactions of polyvinyl chloride microplastics with bovine serum albumin

Zhang

Ding

et al. 2020

Environ Sci Pollut Res

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Spectroscopic and molecular docking study to understand the binding interaction of rosiglitazone with bovine serum albumin in presence of valsartan

Cited by 17 publications

References 28 publications

Insight of the Interaction between 2,4-thiazolidinedione and Human Serum Albumin: A Spectroscopic, Thermodynamic and Molecular Docking Study

Insight of the Interaction between 2,4-thiazolidinedione and Human Serum Albumin: A Spectroscopic, Thermodynamic and Molecular Docking Study

ACW-02 an Acridine Triazolidine Derivative Presents Antileishmanial Activity Mediated by DNA Interaction and Immunomodulation

New insights into the toxic interactions of polyvinyl chloride microplastics with bovine serum albumin

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