Chikungunya virus is an emerging arbovirus that is widespread in tropical regions and is spreading quickly to temperate climates with recent epidemics in Africa and Asia and documented outbreaks in Europe and the Americas. It is having an increasingly major impact on humankind, with potentially life-threatening and debilitating arthritis. There is no treatment available, and only in the past 24...

In last few years, the use of zebrafish (Danio rerio) in scientific research is growing very rapidly. Initially, it was a popular as a model of vertebrate development because zebrafish embryos are transparent and also develop rapidly. Presently, the research using zebrafish is expanding into other areas such as pharmacology, clinical research as a diseases model and interestingly in drug discov...

Structure-based optimization to improve the affinity of a lead compound is an established approach in drug discovery. Knowledge-based databases holding molecular replacements can be supportive in the optimization process. We introduce a strategy to relate the substitution effect within matched molecular pairs (MMPs) to the atom environment within the cocrystallized protein-ligand complex. Virtu...

The discovery of novel bioactive molecules advances our systems-level understanding of biological processes and is crucial for innovation in drug development. For this purpose, the emerging field of chemical genomics is currently focused on accumulating large assay data sets describing compound-protein interactions (CPIs). Although new target proteins for known drugs have recently been identifi...

volume of the bronchial tree at various levels and its possible physiologic significance', Ann.Influence of bronchial tree structure on ventilation in dog lung inferred from measurements of a plastic cast', Lead was one of the seven metals of antiquity. Its discovery dates back to at least 3500 B.C. and lead artefacts have been discovered widespread throughout the ancient world. Lead does not o...

Pharmacokinetic (PK) studies play a vital role in selecting a lead compound for further development. Rats are the preferred rodent species for assessing PK behavior of new chemical entities (NCEs).Typically during drug discovery phase limited compound availability can be a hurdle to conduct detailed and robust pharmacokinetic studies with large number of animals. In addition, using large number...

Significant resources in early drug discovery are spent unknowingly pursuing artifacts and promiscuous bioactive compounds, while understanding the chemical basis for these adverse behaviors often goes unexplored in pursuit of lead compounds. Nearly all the hits from our recent sulfhydryl-scavenging high-throughput screen (HTS) targeting the histone acetyltransferase Rtt109 were such compounds....

In this work, a method for quantification of heavy metals Inductively Coupled Plasma Sector Field Mass Spectrometry (ICP-SFMS) in soil samples of El Bierzo district (Spain) has been optimized and validated. Optimization was carried out for elements: Cr, Mn, Co, Ni, Cu, Zn, Se, As, Cd, Hg, Pb and U. Validation of the method was performed with Certified and Standard Reference Materials (CRMs and ...

This article highlights current trends and advances in exploiting natural sources for the deployment of novel and potent anti-infective countermeasures. The key challenge is to therapeutically target bacterial pathogens that exhibit a variety of puzzling and evolutionarily complex resistance mechanisms. Special emphasis is given to the strengths, weaknesses, and opportunities in the natural pro...

Costs for drug development have soared, exposing a clear need for new R&D strategies. Systems biology has meanwhile emerged as an attractive vehicle for integrating omics data and other post-genomic technologies into the drug pipeline. One of the emerging areas of computational systems biology is constraint-based modeling (CBM), which uses genome-scale metabolic models (GSMMs) as platforms for ...