The in silico identification, optimization and crystallographic characterization of a 6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c]isoquinolin-1-amine scaffold as an inhibitor for the EPHA4 receptor tyrosine kinase is described. A database containing commercially available compounds was subjected to an in silico screening procedure which was focused on finding novel, EPHA4 hinge binding fragments. This...

The increasing cost of drug development together with a significant drop in the number of new drug approvals raises the need for innovative approaches for target identification and efficacy prediction. Here, we take advantage of our increasing understanding of the network-based origins of diseases to introduce a drug-disease proximity measure that quantifies the interplay between drugs targets ...

multiple gene silencing is being required to target and tangle metabolic pathways in eukaryotes and researchers have to develop a subtle method for construction of rna interference (rnai) cassettes. although, several vectors have been developed due to different screening and cloning strategies but still some potential limitations remain to be dissolved. here, we worked out a simple cloning stra...

One of the main bottlenecks to deploying large-scale carbon dioxide capture and storage (CCS) in power plants is the energy required to separate the CO(2) from flue gas. For example, near-term CCS technology applied to coal-fired power plants is projected to reduce the net output of the plant by some 30% and to increase the cost of electricity by 60-80%. Developing capture materials and process...

Introduction The COP9 signalosome (CSN), a multi enzyme complex, is involved in cell cycle regulation. CSN possesses kinase activity that phosphorylates proteins such as p53 and c-Jun [1] and is therefore an interesting therapeutic target for anti-tumor drugs. There are known inhibitors (e.g. Curcurmin) of the kinase activity associated with the signalosome but they exhibit low binding constant...

scarcely pharmaceutical applications. Recent investigations state its utility in dissolution enhancement of poorly soluble drugs, amorphous state stabilization and extended drug release. To broaden the applications of MC as a pharmaceutical excipient, need has been felt to test its antigenicity owing to its proteinic nature. In silico antigenicity screening has been carried out to enable its us...

human cytomegalovirus is one of the most common pathogenic viruses all over the world. in congenital infection leads to neurologic severe disorders and even death of fetus and in individuals with immunosuppression may also cause severe clinical symptoms. multiple evidence indicate that among several strategies, epitope-based vaccine (evs) that can induce both humoral and cellular immunity respo...

the properties relevant to pharmacokinetics and pharmacodynamics of four series of synthesized s-triazine derivatives have been studied by quantitative structure-retention relationship (qsrr) approach. the chromatographic behavior of these compounds was investigated by using reversed-phase high performance thin-layer chromatography (rp-hptlc). chromatographic retention (rm0) was correlated with...