In silico design of potent agonists for human PPAR γ

Peroxisome proliferator-activated receptor (PPAR γ) acts as a key regulator on adipocyte differentiation and glucose homeostasis. PPAR γ has been implicated in the pathology of type 2 diabetes. As human PPAR γ activity is considered important in improving insulin sensitivity, in silico screening was carried out to find potent agonists for human PPAR γ protein. The co-crystal structure of PPAR γ, solved through X-Ray diffraction method was retrieved from the protein data bank. Four PPAR γ agonists selected from literature were submitted to subsequent 2D searching protocol using Ligand.Info, which yielded 1699 structural analogs. The PPAR γ co-crystal structure and ligand dataset were preprocessed using protein preparation wizard and LigPrep, respectively. Further, docking was performed by using three phased docking protocol of Maestro v9.2 that implements Glide v5.7. The obtained thirteen leads through docking were compared with the existing inhibitors and seven leads with good binding affinity with PPAR γ were proposed. The binding orientations of the seven leads were coinciding well with the native co-crystal structure of human PPAR γ. Thus, the proposed seven leads can be suggested as potential agonists for improving insulin sensitivity in the treatment of type 2 diabetes mellitus if synthesized and validated in animal model

Headlight Prefetching for Cooperative Media Streaming in Mobile Environments

Multimedia information services in mobile environments are becoming more and more important with the proliferation of technologies. Media streaming, in particular, is a promising technology for providing services such as news clips, live sports. To avoid service interruption when the users keep moving, proper data management strategies must be employed. We propose a new headlight prefetching technique for the streaming access points to deal with the uncertainty of client movement and the requirement of seamless service handoff. For each mobile client, we maintain a virtual fan shaped prefetching zone along the direction of movement similar to the headlight of a moving vehicle. The overlapping area and the accumulated virtual illuminance of the headlight zone on a particular cell determines the degree and volume of prefetching to be made by the streaming access point of that cell. Headlight prefetching solves the issues of identifying the streaming access points responsible for prefetching, the timing and the amount of data to prefetch in a single mechanism which is simple and effective. Simulation results demonstrate that our techniques can significantly decrease streaming disruptions, reduce bandwidth consumption, increase cache utilization and improve service response time

Insights into the relationship between inherent materials properties of PZT and photochemistry for the development of nanostructured silver.

Recently there has been great interest in using patterned ferroelectric materials for the photochemical growth of metal nanostructures. Variations in surface and sub-surface structure influence the photochemical processes. Here we show that crystallography, and hence remnant polarization, of the ferroelectric affects photo-deposition. The ratio of metal growth on c– and c+ domains varies from 1 : 2 for [100] to 1 : 100 for [111]. This is shown to be dependent on the variations in the band structu

On Multi-Resolution 3D Orbital Imagery and Visualisation for Mars Geological Analysis

Mars Science Laboratory has revealed a dynamic history of water as the rover has ascended the mysterious Mount Sharp in Gale crater. Because rovers only “see” their local environment, planetary scientists rely on satellite-based orbital imagery to understand the regional geology of Gale crater. However, orbital imagery is map-view—viewed from above, lacking perspective—which presents challenges to interpretation of stratigraphy. 3D visualisation is an emerging opportunity to study orbital images in more intuitive, field-like environments, but has had limited application to Mars. In this work, I formulate and analyse 3D orbital imagery over Gale crater, Mars to investigate the stratigraphy of Mount Sharp 700 m above and 40 km away from MSL. First, I process orbital imagery from the HRSC, CTX, and HiRISE cameras into 3D digital terrain models (DTMs). I then co-register and evaluate these DTMs using statistical tools and existing products to build a new, validated, multi-resolution basemap tied down to MOLA. Sakarya Vallis, a 400-m deep canyon on Mount Sharp, was then analysed in a 3D environment at 1 m/px. From measurements of exposed rock layers, I construct cross-sections, stratigraphic logs, and a geological unit map to capture this geology. Seven geological units are interpreted across 1 km of exposure, varying in thicknesses (10–174 m) and dips (3–12º). These units may reveal a cyclic depositional environment; a progradational sequence and channel; and unconformities. This work therefore suggests two periods of sub-aqueous deposition in this region during the Late Noachian to Early Hesperian. These results further provide geological context of Gale crater as MSL ascends Mount Sharp, and future inputs for palaeoenvironmental models of Gale crater

Sports Retailinf in India: Opportunities, Constraints and Way Forward

Sports retail is a small but fast growing segment of modern retail in India. Recently, thecountry has been hosting many international sports and this has given a boost to thissector. Many foreign and domestic corporate retailers have entered sports retail. Sportsgoods manufacturing is a focus area in the Foreign Trade Policy (2009-2014) and thegovernment is taking a fresh look at the current foreign direct investment policy inretail.In the above context, this paper provides an overview of the sports retail sector in India.Specifically, it presents the different retail formats, consumer profile, retailers’ supplychain and sourcing. It also examines the retail and sports policies and their implicationsfor this segment of retail, analyses the barriers faced by this sector and suggests policyreforms.The study found that the policy of allowing 51 per cent FDI in the single-brand formathas not benefited this sector. The FDI ban on multi-brand retail is not an entry barriersince foreign retailers can establish their presence in India through other routes. Thestudy found that since this is a niche segment of retail, FDI would not have an adverseimpact on traditional retailers. It concludes that government should allow 51 per centFDI in multi-brand sports retail. This will increase sourcing from India, lead todiffusion of technology, proliferation of brands, investment in sports and sportspromotion, among others.Retail, Sports, Government Policy, Trade, Consumer Survey

DRUG pKa VALUE PREDICTION – FROM COMPRESSED GRAPH

Objective: Topological indices are interesting since they capture some of the properties of a molecule in a single number. pKa value indicates the strength of the acid in each molecule of the chemical compounds or drugs. The objective of this research was to predict the pKa value of drugs using graph theory. Method: In this paper, we use a graph property eccentricity and the regression, a statistical model to predict the value of pKa by compressing the hexagonal system of the graph structure of drugs which reduces the calculation of eccentricity. Results: pKa value of the new medicine can be determined using regression analysis by fitting in a linear equation of a straight line. Conclusion: The results obtained in this research work clearly indicated that we found out the pKa value of local anesthesia which has similar structures. Further, we can use this method for other physicochemical properties such as boiling point, melting point, and vapor pressure by compressing the drug graph

Isolation, purification, characterization and applications of serine protease from Bacillus megaterium

Bacillus megaterium isolated from poultry farm soil was identified by standard biochemical tests and screened for the production of serine protease. Production of serine protease was done using 5 different medias by varying the type of amino acid added. The purification was done by salt precipitation, dialysis and DEAEcellulose ion exchange chromatography. The proline containing media obtained the highest fold purification out of the five different medias (leucine, lysine, proline, tryptophan and methionine cotaining media). The enzyme showedan optimal activity at the temperature 37°C and the pH 6 which are known as its optimum temperature and pH respectively. The enzyme was proved as a Mn2+ dependent serine protease as it was activated by Mn2+ ions and inhibited by PMSF. The molecular weight of the enzyme was determined by SDS-PAGE technique as around 30kDa. It showed an excellent detergent activity on the blood stains and a very good stability in presence of locally available detrgents. The enzyme acted on the keratin protein of the chicken feather and showed a degrading capacity on the protein. So it was proved that the recently studied serine protease has a keratinase activity also. From these datas I conclude that the protease isolated from Bacillus megaterium is a Mn2+ dependent serine protease which has both keratinase and detergent activity