The present study aims to investigate association constants, binding capacity and different thermodynamic parameters of ovalbumin-oleic acid (Oval/OA) conjugate at different temperatures using fluorescence method. Oval/OA conjugate was prepared in a phoshphate buffer solution at different temperatures. The conjugation process resulted in a change of the fluorescence emission intensity. The emis...

We present a parameterized analytical model of alchemical molecular binding. The model describes accurately the free energy profiles of linear single-decoupling alchemical binding free energy calculations. The parameters of the model, which are physically motivated, are obtained by fitting model predictions to numerical simulations. The validity of the model has been assessed on a set of host-g...

To obtain drugs which are more selective at benzodiazepine (BZD) receptors, design and synthesis of functionally selective ligands for BZD receptors is the current strategy of our pharmaceutical chemistry department. The affinity of newly synthesized ligands is assessed by radioligand receptor binding assays. Based on our previous studies, 2-phenyl-5-oxo-7-methyl-1,3,4-oxadiazolo[a,2,3]-pyrimid...

To obtain drugs which are more selective at benzodiazepine (BZD) receptors, design and synthesis of functionally selective ligands for BZD receptors is the current strategy of our pharmaceutical chemistry department. The affinity of newly synthesized ligands is assessed by radioligand receptor binding assays. Based on our previous studies, 2-phenyl-5-oxo-7-methyl-1,3,4-oxadiazolo[a,2,3]-pyrimid...

A critical but often overlooked question in the study of ligands binding to proteins is whether the parameters obtained from analyzing binding data are practically identifiable (PI), i.e., whether the estimates obtained from fitting models to noisy data are accurate and unique. Here we report a general approach to assess and understand binding parameter identifiability, which provides a toolkit...

linear–dendrite copolymers containing hyper branched poly(citric acid) and linear poly(ethylene glycol) blocks pca–peg–pca are promising nonmaterial to use  in nanomedicine. to investigate their potential application in biological systems (especially for drug carries) oniom2 calculations were applied to study the nature of particular interactions between drug and the polymeric nanoparticles.  b...

the binding of drugs by plasma proteins is an important phenomenon, because it influences the size of the free fraction of the drugs in plasma. in this study the influence of dipyridamole (dp) on the protein binding of propranolol (pl) and pl on the protein binding of dp were studied alone and in the presence of nicotine (nc).        the equilibrium dialysis was employed for protein binding stu...

background: acanthamoeba keratitis develops by pathogenic acanthamoeba such as a. pal­es­tinen­sis . indeed this species is one of the known causative agents of amoebic keratitis in iran. mannose binding protein (mbp) is the main pathogenicity factors for developing this sight threatening disease. we aimed to characterize mbp gene in pathogenic acanthamoeba isolates such as a. palestinensis . m...

immune genes of the major histocompatibility complex (mhc) are among the most polymorphic genes in the vertebrate genome. due to their polymorphic nature, they are often used to assess the adaptive genetic variability of natural populations. this study describes the first molecular characterization of 13 partial mhc class iib sequences from three european ranid frogs.  the utility of previously...