Molecular Docking Algorithms
Drug-Binding Databases
Cause of Chirality Consensus
Therapy and Further Development ...
Leishmaniasis is a parasitic infection that affects millions of people worldwide, especially in tropical and subtropical areas, and is responsible fo ...
Japanese Encephalitis: Epidemio ...
Japanese encephalitis is a major cause of encephalitis in Asia. An estimated 50 000 cases occur in largely rural areas of the south and east Asian re ...
Sphingomyelinase Inhibition Sug ...
Multiple lines of evidence suggest that macrophages have a critical role in the disease pathology of inflammatory bowel disease (IBD) by secreting in ...
Protein Crystallography in Drug ...
Protein crystallography is the main technique used to obtain three-dimensional information for binary complexes involving protein and drugs. Once a p ...
New Targets for Therapy in Poly ...
The polyglutamine (polyQ) repeat disorders are a family of inherited disorders characterized by progressive neurodegeneration, as well as the formati ...
Nanogel Engineered Polymeric Mi ...
In the past few decades nanotechnology for drug delivery has attracted a great deal of attention. Nanogels under this category are sub-micron sized w ...
Molecular Modeling as a Tool fo ...
With the progression of structural genomics projects, comparative modeling remains an increasingly important method of choice to obtain 3D structure ...
Molecular Docking Algorithms
By means of virtual screening of small molecules databases it is possible to identify new potential inhibitors against a target of interest. Molecula ...
Metabotropic Glutamate Receptor ...
Multiple in vivo and in vitro studies show that excessive release of glutamate, and subsequent activation of ionotropic glutamate receptors (iGluRs) ...
Linear Interaction Energy (LIE) ...
Currently, in order to accelerate the process of drug development and also reduce costs, many of the experimental assays related to lead discovery an ...
In Silico and In Vitro: Identif ...
Drug development is a high cost and laborious process, requiring a number of tests until a drug is made available in the market. Therefore, the use o ...
Genetically Modified Hepatitis ...
The surface antigen of hepatitis B virus (HBsAg) spontaneously aggregates into ‘empty’ virus-like particles (VLPs) in the absence of other viral comp ...
Experimental Approaches to Eval ...
Precise experimental methods to determine ligand-binding affinity are needed to accelerate the discovery of new drugs. Assessing protein-ligand inter ...
Evaluation of Molecular Docking ...
Molecular docking simulations are of pivotal importance for analysis of protein-ligand interactions and also an essential resource for virtual-screen ...
Drug-Binding Databases
Recent developments in computer power and chemoinformatics methodology make possible that a huge amount of data become available through internet. Th ...
Current Advances in the Develop ...
Protein kinases, either membrane-embedded receptorial or cytosolic non-receptorial ones, are important transducers of cell proliferation signals. In ...
Computational Methods for Calcu ...
Precise computational methods to determine ligand-binding affinity are needed to accelerate the discovery of new drugs. Assessing protein-ligand inte ...
Synthesis, Characterisation, An ...
A facile synthesis and characterisation of novel dispiro-oxindolopyrrolidines is delineated. The results of the anti-microbial studies of novel dispi ...
Chemical Biology: Past, Present ...
Chemical biology (CB) is a scientific discipline spanning the fields of chemistry and biology involving the application of chemical techniques and to ...
Single Molecule Studies in Chem ...
Modern ultra-sensitive instrumental skill and expertise on surface modification of single biological molecules have sharpened the capabilities of sci ...
Relationship Between Metal Tran ...
Trace elements as Cu (copper), Fe (iron), and Zn (zinc) can be toxic when their distribution is not carefully regulated, and also their inappropriate ...
N-Terminal Specific Fluorescenc ...
The function of a protein correlates closely with its structure; even partial structural disorder/misfolding may lead to various diseases such as Par ...
Enzymes with Phosphotriesterase ...
Organophosphates (OPs) are a class of synthetic compounds used both as pesticides and nerve agents. They are chemically phosphoesters and biologicall ...
Cause of Chirality Consensus
Biological macromolecules, proteins and nucleic acids are composed exclusively of chirally pure monomers. The chirality consensus appears vital for l ...
Molecular Kinetics and Targetin ...
Protein mobility, chromatin movement and the formation of molecular assemblies in the cell nucleus have, until fairly recently, been viewed in a pseu ...