Exploring the intermolecular interactions and contrasting binding of flufenamic acid with hemoglobin and lysozyme: A biophysical and docking insight

Influence of Tween 80 Surfactant on the Binding of Roxatidine Acetate and Roxatidine Acetate–loaded Chitosan Nanoparticles to Lysozyme

“…The molecular docking is an excellent and an efficient computational technique, which is used to predict the probable binding site of interaction of protein with the ligand/drug molecule and also the preferred binding site of the ligand through the 3-D graphics [4,11,47,99]. Moreover, it also displays the amino acid residues encircling the ligand/drug molecule and also assists to validate the results and highlights the interaction types operating in the protein-ligand/drug system [4,99,100]. To study the interaction in the Lyz-RxAc system, molecular docking studies were carried out with Autodock Vina software to clarify the mode of binding between lysozyme and Roxatidine acetate and illustrate the underlying mechanism.…”

“…Some are specific to their biological actions whereas some are selective toward the binding site [1,2]. Conformational changes of protein may influence its transportation, function, assembly, potential cytotoxicity, and tendency to aggregate [3,4]. Furthermore, it has been indicated that the serum albumin conformation will be changed upon binding with ligands or molecules, and the change shows its influence on the secondary and tertiary structures of albumins and their biological function as a carrier protein [5,6].…”

“…Some of its important biological roles also include antihistaminic, anti-inflammatory, and antineoplastic activity [15][16][17][18]. Lyz consists of 129 amino acid residues and contains six tryptophan (Trp) and three tyrosine (Tyr) residues [4,15]. Three residues of Trp are placed at the binding sites, two sites in the hydrophobic cavity, while the last site is located independently from others [4,15,[19][20][21], and the effectiveness of drugs depends on both pharmacokinetic and pharmacodynamic factors.…”

“…Lyz consists of 129 amino acid residues and contains six tryptophan (Trp) and three tyrosine (Tyr) residues [4,15]. Three residues of Trp are placed at the binding sites, two sites in the hydrophobic cavity, while the last site is located independently from others [4,15,[19][20][21], and the effectiveness of drugs depends on both pharmacokinetic and pharmacodynamic factors. Therefore, the studies on the interactions of drugs and Lyz are of importance in understanding the release disposition, transportation, and metabolism of drug as well as the efficacy process involving drug and Lyz.…”

In Vitro Hemoglobin Binding and Molecular Docking of Synthesized Chitosan-Based Drug-Carrying Nanocomposite for Ciprofloxacin-HCl Drug Delivery System

“…Bovine hemoglobin (BHb) has been reported as a model protein that is 90% homologous to human hemoglobin concerning amino acid sequence, a better oxygen carrier, and less exothermic oxygen binding capacity. 9 It has already been confirmed that antibiotic compounds can form strong intermolecular complexes with proteins; therefore, this work investigates how to minimize the amount of ciprofloxacin by using it in nano form. Ciprofloxacin (CFX) drug in its nano form could be used effectively to escape the side effects of accumulation due to use.…”