Protein-ligand docking is currently an important tool in drug discovery efforts and an active area of research that has been the subject of important developments over the last decade. These are well portrayed in the rising number of available protein-ligand docking software programs, increasing level of sophistication of its most recent applications, and growing number of users. While starting by summarizing the key concepts in protein-ligand docking, this article presents an analysis of the evolution of this important field of research over the past decade. Particular attention is given to the massive range of alternatives, in terms of protein-ligand docking software programs currently available. The emerging trends in this field are the subject of special attention, while old established docking alternatives are critically revisited. Current challenges in the field of protein-ligand docking such as the treatment of protein flexibility, the presence of structural water molecules and its effect in docking, and the entropy of binding are dissected and discussed, trying to anticipate the next years in the field.

Chalcones are naturally occurring compounds exhibiting broad spectrum biological activities including anticancer activity through multiple mechanisms. Literature on anticancer chalcones highlights the employment of three pronged strategies, namely; structural manipulation of both aryl rings, replacement of aryl rings with heteroaryl scaffolds, molecular hybridization through conjugation with other pharmacologically interesting scaffolds for enhancement of anticancer properties. Methoxy substitutions on both the aryl rings (A and B) of the chalcones, depending upon their positions in the aryl rings appear to influence anticancer and other activities. Similarly, heterocyclic rings either as ring A or B in chalcones, also influence the anticancer activity shown by this class of compounds. Hybrid chalcones formulated by chemically linking chalcones to other prominent anticancer scaffolds such as pyrrol[2,1-c][1,4]benzodiazepines, benzothiazoles, imidazolones have demonstrated synergistic or additive pharmacological activities. The successful application of these three pronged strategies for discovering novel anticancer agents based on chalcone scaffold has resulted in many novel and chemically diverse chalcones with potential therapeutic application for many types of cancer. This review summarizes the concerted efforts expended on the design and development of anticancer chalcones recorded in recent literature and also provides an overview of the patents published in this area between 2007 and 2014 (WO2013022951, WO201201745 & US2012029489).

Due to presence of hydroxy and carboxy functional groups, xanthan gum is amenable to various chemical modification for producing derivatives such as carboxymethyl xanthan and carboxymethyl hydroxypropyl xanthan with desirable properties for end use.

The cdc2-like kinases (CLKs) are an evolutionarily conserved group of dual specificity kinases belonging to the CMGC (cyclin-dependent kinases (CDKs), mitogen-activated protein kinases (MAP kinases), glycogen synthase kinases (GSK) and CDK-like kinases). The CLK family consists of four isoforms namely CLK1, CLK2, CLK3 and CLK4. The human CLK1 encoded protein comprises 454 amino acids and the catalytic domain of CLK1 exhibits the typical protein kinase fold. CLK1 has been shown to autophosphorylate on serine, threonine and tyrosine residues and phosphorylate exogenous substrates on serine and threonine residues. CLK1 plays an important role in the regulation of RNA splicing through phosphorylation of members of the serine and arginine-rich (SR) family of splicing factors. CLK1 is involved in the pathophysiology of Alzheimer's disease by phosphorylating the serine residue in SR proteins. Nuclear speckles of the nucleoplasm contain the stored form of SR proteins and are moderately responsible for the choice of splicing sites during pre-mRNA splicing. Hence, the inhibition of CLK1 can be used as a therapeutic strategy for Alzheimer's disease. Many natural and synthetic molecules are reported to possess CLK1 inhibitory activity. Some specific examples are Marine alkaloid Leucettamine B and KH-CB19. Leucettamine B is a potent inhibitor of CLK1 (15 nM), Dyrk1A (40 nM), and Dyrk2 (35 nM) and a moderate inhibitor of CLK3 (4.5 µM) whereas KH-CB19 is a highly specific and potent inhibitor of the CLK1/CLK4. X-ray crystallographic studies have revealed the binding mode of marine sponge metabolite hymenialdisine and a dichloroindolyl enamino nitrile (KH-CB19) to CLK1. This review focuses on the role of CLKs in the pathophysiology of Alzheimer's disease and therapeutic potential of targeting CLK1 in Alzheimer's disease drug discovery and development. In addition, the recent developments in drug discovery efforts targeting human CLK1 are also highlighted.

Testing of groundwater used for drinking for arsenic has been undertaken more widely by state governments in several states of India in recent years with the support of UNICEF. Available data for five states are collated in this paper and this provides the most up-to-date picture of areas known to be affected by arsenic in groundwater in the Indian portion of the Ganges-Brahmaputra river basin. In West Bengal, water from 132,262 government installed handpumps in 8 districts has been tested and overall 25.5% of samples were found to contain arsenic at concentrations greater than 50 microgL(-1) and 57.9% at concentrations greater than 10 microgL(-1). On the banks of the Brahmaputra in Assam, to date, samples from 5,729 government handpump sources in 22 districts have been tested for arsenic. Overall, samples from 6.3% of sources were found to contain arsenic at concentrations greater than 50 microgL(-1) and 26.1% at concentrations greater than 10 microgL(-1). In Bihar, on the River Ganges upstream of West Bengal, 66,623 sources from 11 districts have been tested and water samples from 10.8% of sources were found to contain arsenic at concentrations greater than 50 microgL(-1) and 28.9% at concentrations greater than 10 microgL(-1). Upstream of Bihar in Uttar Pradesh, home of the Taj Mahal, to date water samples from 20,126 government-installed handpump sources have been tested. As a result 2.4% of the samples tested were found to contain arsenic at concentrations greater than 50 microgL(-1) and 21.5% at concentrations greater than 10 microgL(-1). Finally in one district of Jharkhand, lying on the Ganges alluvial plain between Bihar and West Bengal, 9,007 sources have been tested and water samples from 3.7% of sources were found to contain arsenic at concentrations greater than 50 microgL(-1) and 7.5% at concentrations greater than 10 microgL(-1). State governments have adopted different sampling strategies and these are described in this paper. Testing is ongoing in several states and the complete picture is yet to emerge in some areas.