Binding Affinity of p-PD-Based Schiff-Bases towards Human Serum Albumin; In-Vitro and In-Silico Assessment

2022 ◽  
pp. 132399
Sudabeh Shokrollahi ◽  
Ahmad Amiri ◽  
Kurt Schenk-Joß
2021 ◽  
pp. 116888
Fahad A. Alhumaydhi ◽  
Mohammad Abdullah Aljasir ◽  
Abdullah S.M. Aljohani ◽  
Suliman A. Alsagaby ◽  
Ameen S.S. Alwashmi ◽  

2017 ◽  
Vol 41 (16) ◽  
pp. 8203-8213 ◽  
Muslim Raza ◽  
Yun Wei ◽  
Yang Jiang ◽  
Aftab Ahmad ◽  
Saleem Raza ◽  

Highlighting novelty: comprehensive in vitro and in silico insights for understanding the novel binding site of TOB with HSA.

RSC Advances ◽  
2016 ◽  
Vol 6 (108) ◽  
pp. 106516-106526 ◽  
Fereshteh Shiri ◽  
Somaye Shahraki ◽  
Sadegh Baneshi ◽  
Massoud Nejati-Yazdinejad ◽  
Mostafa Heidari Majd

The binding site of new complex Zn(ii) of 5-dithiocarbamato-1,3,4-thiadiazole-2-thiol and HAS.

2018 ◽  
Marziyeh Hassanian ◽  
Hassan Aryapour ◽  
Alireza Goudarzi ◽  
Masoud Bezi Javan

AbstractWith due attention to adsorption of proteins on the nanoparticles surface and the formation of nanoparticle-protein corona, investigation of nanoparticles toxicity on the structure of proteins is important. Therefore, this work was done to evaluate toxicity of Zinc oxide nanoparticles (ZnO NPs) on the structure of human serum albumin (HSA) through in vitro and in silico studies. First, ZnO NPs were synthesized using hydrothermal method and their size and morphology were determined by SEM and TEM methods and then to study its toxicity on the HSA structure were used UV-Vis and fluorescence spectroscopy. Also, in order to investigate interaction mechanism of ZnO NP with HSA at the atomistic level was used molecular dynamics (md) simulation. The obtained images from SEM and TEM showed that ZnO NPs were nanosheet with size of less than 40 nm. The results of spectroscopic studies showed ZnO NPs lead to significant conformational changes in the protein’s absorption and emission spectra. Moreover, md results showed the minor structure changes in HSA due to interaction with ZnO NP during the 100 ns simulation and the formation of nanoparticle-protein corona complex that is mainly because of electrostatic interactions between charge groups of HSA and ZnO NP.

2020 ◽  
Vol 54 (4) ◽  
pp. 586-598
S. Ginosyan ◽  
H. Grabski ◽  
S. Tiratsuyan

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