Synthesis, characterization and interaction studies of 1,3,4-oxadiazole derivatives of fatty acid with human serum albumin (HSA): A combined multi-spectroscopic and molecular docking study

2016 ◽  
Vol 122 ◽  
pp. 72-78 ◽  
Author(s):  
Khairujjaman Laskar ◽  
Parvez Alam ◽  
Rizwan Hasan Khan ◽  
Abdul Rauf
Keyword(s):  
Molecular Docking ◽  
Fatty Acid ◽  
Human Serum Albumin ◽  
Serum Albumin ◽  
Human Serum ◽  
Docking Study ◽  
Molecular Docking Study ◽  
Interaction Studies ◽  
Oxadiazole Derivatives ◽  
Derivatives Of

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

2019 ◽  
Vol 20 (11) ◽  
pp. 2727 ◽  
Author(s):  
Safikur Rahman ◽  
Md Tabish Rehman ◽  
Gulam Rabbani ◽  
Parvez Khan ◽  
Mohamed F AlAjmi ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Human Serum Albumin ◽  
Serum Albumin ◽  
Human Serum ◽  
Docking Study ◽  
Dynamics Simulation ◽  
Titration Calorimetry ◽  
Peroxisome Proliferator ◽  
Molecular Docking Study ◽  
Fluorescence Studies

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.

scholarly journals Deciphering the interaction of plumbagin with human serum albumin: A combined biophysical and molecular docking study

2020 ◽  
Vol 32 (6) ◽  
pp. 2854-2862 ◽  
Author(s):  
Faizan Abul Qais ◽  
Fohad Mabood Husain ◽  
Rais Ahmad Khan ◽  
Iqbal Ahmad ◽  
Iftekhar Hassan
Keyword(s):  
Molecular Docking ◽  
Human Serum Albumin ◽  
Serum Albumin ◽  
Human Serum ◽  
Docking Study ◽  
Molecular Docking Study

Binding of erucic acid with human serum albumin using a spectroscopic and molecular docking study

2017 ◽  
Vol 105 ◽  
pp. 1572-1580 ◽  
Author(s):  
Gulam Rabbani ◽  
Mohammad Hassan Baig ◽  
Arif Tasleem Jan ◽  
Eun Ju Lee ◽  
Mohsin Vahid Khan ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Human Serum Albumin ◽  
Serum Albumin ◽  
Erucic Acid ◽  
Human Serum ◽  
Docking Study ◽  
Molecular Docking Study

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

ACS Omega ◽  
2019 ◽  
Vol 4 (26) ◽  
pp. 22152-22160 ◽  
Author(s):  
Jeenat Aslam ◽  
Irfan Hussain Lone ◽  
Nagi R. E. Radwan ◽  
Mohd Faizan Siddiqui ◽  
Shazia Parveen ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Amino Acid ◽  
Human Serum Albumin ◽  
Serum Albumin ◽  
Human Serum ◽  
Molecular Interaction ◽  
Gemini Surfactant ◽  
Docking Study ◽  
Molecular Docking Study

Caffeine and sulfadiazine interact differently with human serum albumin: A combined fluorescence and molecular docking study

2016 ◽  
Vol 152 ◽  
pp. 23-33 ◽  
Author(s):  
Mullah Muhaiminul Islam ◽  
Vikash K. Sonu ◽  
Pynsakhiat Miki Gashnga ◽  
N. Shaemningwar Moyon ◽  
Sivaprasad Mitra
Keyword(s):  
Molecular Docking ◽  
Human Serum Albumin ◽  
Serum Albumin ◽  
Human Serum ◽  
Docking Study ◽  
Molecular Docking Study

Exploring the mode of binding between food additive “butylated hydroxytoluene (BHT)” and human serum albumin: Spectroscopic as well as molecular docking study

2017 ◽  
Vol 230 ◽  
pp. 557-564 ◽  
Author(s):  
Nasser Abdulatif Al-Shabib ◽  
Javed Masood Khan ◽  
Mohd Sajid Ali ◽  
Hamad A. Al-Lohedan ◽  
Mohd Shahnawaz Khan ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Human Serum Albumin ◽  
Serum Albumin ◽  
Human Serum ◽  
Docking Study ◽  
Food Additive ◽  
Butylated Hydroxytoluene ◽  
Molecular Docking Study
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