In this research, synthesized well derivatives of 1,3-diaryl-2-N-azaphenalene and N-acyl-1.3-diaryl-2-N- azaphenalene as a macromolecule in the presence of nanoparticles (Fe3O4 coated with L-Arginine)as a magnetic Nano catalyst in a one-pot reaction of compounds 7.2-Naphthalene diol, aldehydes,ammonium derivatives (ammonium acetate or ammonium hydro phosphates) and solvent (wa...

Measurements of Rayleigh light scattering and Cotton-Mouton (CM) effect are carried out at room temperature for 100 mM NaCl solutions of apoferritin/ferritin loaded with 0, 90, 100, 500, 700, and 1500 Fe atoms/molecule. Because of the spherical shape, ferritin macromolecule should not manifest magnetic anisotropy; however, in solution it shows the induced magnetic birefringence (CM effect) and ...

The free energy of binding of a ligand to a macromolecule is here formally decomposed into the (effective) energy of interaction, reorganization energy of the ligand and the macromolecule, conformational entropy change of the ligand and the macromolecule, and translational and rotational entropy loss of the ligand. Molecular dynamics simulations with implicit solvation are used to evaluate thes...

We have investigated protein stability in an environment of Escherichia coli cytoplasm using coarse-grained computer simulations. To coarse-grain a small slide of E. coli's cytoplasm consisting of over 16 million atoms, we have developed a self-assembled clustering algorithm (CGCYTO). CGCYTO uses the shape parameter and asphericity as well as a parameter λ (ranging from 0 to 1) that measures th...

AIM Maintenance of the blood and extracellular volume requires tight control of endothelial macromolecule permeability, which is regulated by cAMP signalling. This study probes the role of the cAMP mediators rap guanine nucleotide exchange factor 3 and 4 (Epac1 and Epac2) for in vivo control of microvascular macromolecule permeability under basal conditions. METHODS Epac1-/- and Epac2-/- C57B...

Circular dichroism (CD) is an excellent method for the study of the conformations adopted by proteins and nucleic acids in solution. Although not able to provide the beautifully detailed residue-specific information available from nuclearmagnetic resonance (NMR) and X-ray crystallography, CD measurements have two major advantages: they can be made on small amounts of material in physiological b...

Chemically diverse fragments tend to collectively bind at localized sites on proteins, which is a cornerstone of fragment-based techniques. A central question is how general are these strategies for predicting a wide variety of molecular interactions such as small molecule-protein, protein-protein and protein-nucleic acid for both experimental and computational methods. To address this issue, w...

A graph is presented which permits facile determination of the dissociation constant for a macromolecule-ligand complex from gel filtration results; it can be used without a detailed understanding of the remainder of the text. When a solution of macromolecule and radioactive ligand is subjected to gel filtration, the amount of ligand associated with the eluted macromolecule is easily measured. ...

The action of glucocorticoids on vascular permeability is well established. However, little is known about the action of mineralocorticoids on the structure and function of blood vessels. As endothelial cells are targets for both glucocorticoids and mineralocorticoids, we exposed human umbilical vein endothelial cells to both types of steroids. Aldosterone (mineralocorticoid) and dexamethasone ...

Virtual database screening allows for millions of chemical compounds to be computationally selected based on structural complimentary to known inhibitors or to a target binding site on a biological macromolecule. Compound selection in virtual database screening when targeting a biological macromolecule is typically based on the interaction energy between the chemical compound and the target mac...