Spectroscopic and docking studies on the interaction between pyrrolidinium based ionic liquid and bovine serum albumin.

Herein, we report the interaction of synthesized pyrrolidinium based ionic liquid, N-butyl-N-methyl-2-oxopyrrolidinium bromide (BMOP) with human serum albumin (HSA). The BMOP was characterized by using 1H NMR, 13C NMR and FT-IR techniques. The critical micelle concentration (cmc) of BMOP was confirmed by surface tension, conductivity and contact angle measurements. The interactions between HSA and BMOP were studied by steady-state and time-resolved fluorescence, UV–visible, FT-IR spectroscopic and molecular docking methods. The steady-state fluorescence spectra showed that BMOP quenched the fluorescence of HSA through combined quenching mechanism. Corresponding thermodynamic parameters viz. Gibbs free energy change (ΔG), entropy change (ΔS) and enthalpy change (ΔH) illustrated that the binding process was spontaneous and entropy driven. It is also suggested that hydrophobic forces play a key role in the binding of BMOP to HSA. In addition, the pyrene probe analysis again suggests the involvement of hydrophobic interaction in HSA–BMOP complex formation. Surface tension profile showed that the cmc value of BMOP in the presence of HSA is higher than the cmc value of pure BMOP. The FT-IR results show a conformational change in the secondary structure of HSA upon the addition of BMOP. The molecular docking result indicated that BMOP binds with HSA at hydrophobic pocket domain IIA with hydrophobic and hydrogen bond interactions in which hydrophobic interactions are dominating.

Probing HSA-ionic liquid interactions by spectroscopic and molecular docking methods

Polymeric nanoparticles for food applications

A general, simple and straight forward approach was used for the aqueous phase synthesis of bis-(4hydroxycoumarin-3-yl)methanes via phosphotungstic acid as catalyst and provides efficient and environmentally benign route. Knoevenagel-type condensation followed by Michael reaction was carried between 4-hydroxycoumarin and an aldehyde in water as a solvent in shorter duration with high yields. Coumarin is a biological active chemical compound found in many plants, notably in high concentration in the Tonka bean, woodruff, and bison grass. Coumarins have potential in therapeutic application as anticoagulant and sustaining agents, they have results as antibiotics and antitumor drug. We have determined various biological properties of the synthesized compounds on basis of pharmacophores, structures. We docked the above synthesized compounds and evaluated hydrogen bonding, steric interaction with both enzymes (carbonic anhydrase and glyceraldehydes-3-phosphate dehydrogenase). Also, structural activities relationship of the compounds in reference molecular modelling, Lipinski rule of five, drug likeness, toxicity profiles were determined.

Synthesis, Computational & Docking Studies Of Bis-(4-Hydroxycoumarin-3-Yl) Methanes As Potential Inhibitor For Carbonic Anhydrase, Glyceraldehyde-3-Phosphate Dehydrogenase

Ionic Liquid Stabilized Metal NPs and their Role as Potent Catalyst

Chitosan is a biodegradable natural polymer with great potential for pharmaceutical applications because of its biocompatibility, high charge density, nontoxicity and mucoadhesion. It has been show...

A novel method to chemically bind thiazolidine-2,4-dione through cross-linked chitosan nanoparticles using malanodialdehyde as a cross-linker

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A novel method to chemically bind thiazolidine-2,4-dione through cross-linked chitosan nanoparticles using malanodialdehyde as a cross-linker