Intermolecular recognition between pyrimethamine, an antimalarial drug and human serum albumin: Spectroscopic and docking study

2020 ◽  
Vol 311 ◽  
pp. 113270 ◽  
Author(s):  
Kabiru Abubakar Musa ◽  
Ting Ning ◽  
Saharuddin B. Mohamad ◽  
Saad Tayyab
Keyword(s):  
Human Serum Albumin ◽  
Serum Albumin ◽  
Human Serum ◽  
Antimalarial Drug ◽  
Docking Study ◽  
Intermolecular Recognition

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

Combination mode of antimalarial drug mefloquine and human serum albumin: Insights from spectroscopic and docking approaches

Biopolymers ◽  
2019 ◽  
Vol 111 (2) ◽  
Author(s):  
Kabiru A. Musa ◽  
Nor F. W. Ridzwan ◽  
Saharuddin B. Mohamad ◽  
Saad Tayyab
Keyword(s):  
Human Serum Albumin ◽  
Serum Albumin ◽  
Human Serum ◽  
Antimalarial Drug ◽  
Combination Mode

Interaction mechanism of an antimalarial drug, sulfadoxine with human serum albumin

2020 ◽  
Vol 53 (5) ◽  
pp. 391-405
Author(s):  
Jaslene Anne Francis ◽  
Md. Shalauddin ◽  
Nor Farrah Wahidah Ridzwan ◽  
Saharuddin B. Mohamad ◽  
Wan Jeffrey Basirun ◽  
...  
Keyword(s):  
Human Serum Albumin ◽  
Serum Albumin ◽  
Human Serum ◽  
Antimalarial Drug ◽  
Interaction Mechanism
Sign in / Sign up

Export Citation Format

Share Document