Nutrients supply especially like nutrients and oxygen play vital role in tissue engineering process. It is found that could not grow very well the middle of scaffold because few transport to middle. Nutrient limitations would reduce cell proliferation differentiation. In case, there urgent need understand nutrient distribution for both vitro vivo study, as no technology able researchers observe...

The recent boom in general-purpose computing on graphics processing units (GPGPU) facilitates simulations with high demands on computer resources. Such simulations are typical for macromolecules and nanoparticles of biological importance. Several proteins, instead of folding into biologically active 3D structures, aggregate together forming large fibril structures called amyloid aggregates. Amy...

in this research between 3-dimensional and axisymmetric modeling for movement of nano-particles in passing through a aerodynamic lens, and also between these models and famous model of wang & liu was compared. for this purpose, output of nano-particles penetration, divergence angel, and nano-particle velocity with wang & liu model was compared. geometrical model used for aerodynamic lens compar...

Starting from a series of our new 2-phenylbenzimidazole derivatives, shown to be selectively and potently active against the bovine viral diarrhea virus (BVDV), we developed a hierarchical combined experimental/molecular modeling strategy to explore the drug leads for the BVDV RNA-dependent RNA-polymerase. Accordingly, a successful 3D pharmacophore model was developed, characterized by distinct...

The Plasmodium falciparum Lactate Dehydrogenase enzyme (PfLDH) catalyzes inter-conversion of pyruvate to lactate during glycolysis producing the energy required for parasitic growth. The PfLDH has been studied as a potential molecular target for development of anti-malarial agents. In an attempt to find the potent inhibitor of PfLDH, we have used Discovery studio to perform molecular docking in...

In this paper, a three level in silico approach was applied to investigate some important structural and physicochemical aspects of a series of anthranilic acid derivatives (AAD) newly identified as potent partial farnesoid X receptor (FXR) agonists. Initially, both two and three-dimensional quantitative structure activity relationship (2D- and 3D-QSAR) studies were performed based on such AAD ...

Synaptic vesicle protein 2A (SV2A) is an integral membrane protein necessary for the proper function of the central nervous system and is associated to the physiopathology of epilepsy. SV2A is the molecular target of the anti-epileptic drug levetiracetam and its racetam analogs. The racetam binding site in SV2A and the non-covalent interactions between racetams and SV2A are currently unknown; t...