COMPARATIVE DOCKING STUDIES ON THE EFFECT OF COMMERCIAL DRUGS ON DIPEPTIDYL PEPTIDASE-4 (DPP-4)

Objective: The aim of our study was to validate the accuracy of computational tools in drug discovery and molecular interaction studies by studying the inhibitory activity of various commercial drugs on DPP-4.Methods: In order to validate the accuracy of computational tools, 50 commercially available drugs were docked with DPP-4, a major target for type 2 diabetes treatment. Studies were performed using Discovery studio 3.5.Results: The analysis showed that out of the fifty selected drugs, 33 drugs passed the Lipinski's rule and commercially prescribed drugs namely Sulfonylurea, Pregabalin and Metaformin were found to have maximum interaction with the target.Conclusion: These major drugs which yielded the best results were found to be used in the treatment of diabetes which reconfirms the efficacy of these drugs, druggability of the target as well as the accuracy of the tool used

Hydrothermal syntheses of tungsten doped TiO 2 and TiO 2 /WO 3 composite using metal oxide precursors for charge storage applications

Synthesis of advanced functional materials through scalable processing routes using greener approaches is essential for process and product sustainability. In this article, syntheses of nanoparticles of titanium dioxide (TiO₂), tungsten trioxide (WO₃), WO₃-doped titanium dioxide (W-TiO₂) and TiO₂/WO₃ composite at hydrothermal conditions using corresponding metal oxide precursors are described. Electrochemical charge storage capabilities of the above materials are measured using cyclic voltammetry, charge-discharge cycling and electrochemical impedance spectroscopy in aqueous KOH electrolyte. The TiO₂ and the WO₃ nanoparticle showed a specific charge (Q) of ∼12 and ∼36 mA h g⁻¹ at a current density of 2 A g⁻¹ in 6 M KOH, respectively. The Q of TiO₂ increased upon W doping up to 25 mA h g−1 for 5 wt% W-TiO2 and the WO₃/TiO₂ composite showed the highest storage capability (Q ∼40 mA h g⁻¹). Changes in the charge storage capabilities of the doped and composite materials have been correlated to materials properties.Bhupender Pal acknowledges the Research & Innovation Department of Universiti Malaysia Pahang (http://ump.edu.my) for award of Postdoctoral Fellowship. This project is funded under Flagship Strategic Leap 3 of Universiti Malaysia Pahang (Grant Number # RDU 172201)

Facile fabrication of thin metal oxide films on porous carbon for high density charge storage

In an effort to minimize the usage of non-renewable materials and to enhance the functionality of the renewable materials, we have developed thin metal oxide coated porous carbon derived from a highly abundant non-edible bio resource, i.e., palm kernel shell, using a one-step activation-coating procedure and demonstrated their superiority as a supercapacitive energy storage electrode. In a typical experiment, an optimized composition contained ~10 wt.% of Mn2O3 on activated carbon (AC); a supercapacitor electrode fabricated using this electrode showed higher rate capability and more than twice specific capacitance than pure carbon electrode and could be cycled over 5000 cycles without any appreciable capacity loss in 1 M Na2SO4 electrolyte. A symmetric supercapacitor prototype developed using the optimum electrode showed nearly four times higher energy density than the pure carbon owing to the enhancements in voltage window and capacitance. A lithium ion capacitor fabricated in half-cell configuration using 1 M LiPF6 electrolyte showed larger voltage window, superior capacitance and rate capability in the ~10 wt.% Mn2O3@AC than the pure analogue. These results demonstrate that the current protocol allows fabrication of superior charge storing electrodes using renewable materials functionalized by minimum quantity of earthborn materials

Large Scale Synthesis of Binary Composite Nanowires in the Mn2O3-SnO2 System with Improved Charge Storage Capabilities

Large scale production of electrochemical materials in non-conventional morphologies such as nanowires has been a challenging issue. Besides, functional materials for a given application do not often offer all properties required for ideal performance; therefore, a composite is the most sought remedy. In this paper, we report large scale production of a composite nanowire, viz. Mn2O3-SnO2, and their constituent binary nanowires by a large scale electrospinning pilot plant consisting of 100 needles. Electrochemical characterization of thus produced composite nanowires showed nearly threefold increase in the discharge capacity compared to their single component counterparts: Mn2O3-SnO2 ∼53 mA h g−1 (specific capacitance, CS ∼384 F g−1); Mn2O3 ∼18 mA h g−1 (CS ∼164 F g−1); and SnO2 ∼14 mA h g−1 (CS ∼128 F g−1) at 1 A g−1 in 6 M KOH. The EIS studies showed that the characteristic resistances and time of the composite electrode are appreciably lower than their constituents. Owing to the scalability of the synthesis processes and promising capacitive properties achieved would lead the composite material as a competitive low-cost and high-performance supercapacitor electrode

Complete genome sequence of Vibrio gazogenes PB1: an estuarine bacterium capable of producing prodigiosin from starch or cellulose

Vibrio is a genus of gram-negative, rod-shaped, motile bacteria commonly found in saltwater. One species in particular, Vibrio gazogenes PB1, sourced from an estuarine environment, is known to produce the secondary metabolite, prodigiosin. This high-value compound has potential uses as an antibiotic, a fungicide, and an anti-cancer agent. To further explore its metabolic and genetic features for biotechnological purposes, the complete genome sequence of V. gazogenes PB1 was determined by Illumina and Pacbio sequencing. Two chromosomes were assembled with a mean coverage of 293x. Chromosome 1 is 3.5 Mbp in size with 45.3% GC content and chromosome 2 is 1.2 Mbp in size with 45.1% GC content. The entire genome harbours 4178 genes, of which 3988 are protein-coding and 114 are RNA-coding. A total of 55 virulence-related genes, 38 antimicrobial resistance genes, 48 transposase sequences, 2 intact prophage regions, and 10 genomic islands were present within the genome. Six genes associated with the degradation of cellulose and starch were also identified within the genome. Four of them were strongly up-regulated, as confirmed by RT-qPCR, thus providing strong evidence for their involvement in starch and cellulose degradation. Quite importantly, we demonstrate for the first time that starch and cellulose is associated with the synthesis of prodigiosin in a native prodigiosin-producing bacterium. The prodigiosin titres obtained in the presence of cellulose were on par with glucose as the carbon source which lends further support in the use of V. gazogenes PB1 as a biotechnological host for prodigiosin production

Faciès, biostratigraphie, diagenèse et environnements de dépôt des couches du Crétacé inférieur d'une coupe de la Sierra San José, Sonora (Mexique)

We used petrofacies analysis, carbon, oxygen and strontium isotope data to interpret the isotopic variations in the carbonate rocks of the Mural Formation of Sonora (Sierra San José section), Mexico. The petrographic study reveals a range of lithofacies from wackestone to packstone. The analyzed limestones show significant negative δ18O values (-18.6 to -10.9 VPDB) and δ13C values ranging from negative to positive (-2.6 to +2.5‰ VPDB). The absence of correlation between δ13C and δ18O values suggests a primary marine origin for the δ13C values of limestones from the Sierra San José section. The limestones have large variations in 87Sr/86Sr values (0.707479 to 0.708790). Higher 87Sr/86Sr ratios in various levels of the studied section suggest that most of the sediments were derived from the Proterozoic basement of the Caborca block during Early Cretaceous time. A decrease in 87Sr/86Sr ratios at certain levels indicates an influx of lesser amounts of radiogenic Sr that could have been caused by contribution of sediments from the Triassic and Jurassic volcanic rocksNous avons utilisé l'analyse pétrofaciologique et les données isotopiques du carbone, de l'oxygène et du strontium pour interpréter les variations isotopiques enregistrées par les roches carbonatées de la Formation Mural (coupe de la Sierra San José) de Sonora, Mexique. Il ressort de l'étude pétrographique que les lithofaciès ont des textures soit de type wackestone, soit de type packstone. Les calcaires analysés présentent des valeurs fortement négatives du δ18O (comprises entre -18,6 et -10,9 VPDB) alors que celles du δ13C varient de négatives à positives (de -2,6 à +2,5‰ VPDB). L'absence de corrélation entre les valeurs du δ13C et celles du δ18O suggère une origine marine primaire pour les valeurs du δ13C des calcaires de cette coupe de la Sierra San José. Les calcaires analysés ont également enregistré de fortes variations des valeurs du rapport 87Sr/86Sr (de 0,707479 à 0,708790). Les rapports 87Sr/86Sr les plus forts rencontrés à différents niveaux de la coupe étudiée suggèrent qu'au Crétacé inférieur la plus grande partie des apports sédimentaires provienne du substratum protérozoïque du bloc Caborca. Une baisse dans les rapports 87Sr/86Sr de certains niveaux révèle des apports moindres en Sr radiogénique qui pourraient, cette fois-ci, être liés à une contribution de sédiments dérivés de roches volcaniques triasiques et jurassiques

Human protein reference database—2006 update

Human Protein Reference Database (HPRD) () was developed to serve as a comprehensive collection of protein features, post-translational modifications (PTMs) and protein–protein interactions. Since the original report, this database has increased to >20 000 proteins entries and has become the largest database for literature-derived protein–protein interactions (>30 000) and PTMs (>8000) for human proteins. We have also introduced several new features in HPRD including: (i) protein isoforms, (ii) enhanced search options, (iii) linking of pathway annotations and (iv) integration of a novel browser, GenProt Viewer (), developed by us that allows integration of genomic and proteomic information. With the continued support and active participation by the biomedical community, we expect HPRD to become a unique source of curated information for the human proteome and spur biomedical discoveries based on integration of genomic, transcriptomic and proteomic data

Reducing the environmental impact of surgery on a global scale: systematic review and co-prioritization with healthcare workers in 132 countries

Abstract Background Healthcare cannot achieve net-zero carbon without addressing operating theatres. The aim of this study was to prioritize feasible interventions to reduce the environmental impact of operating theatres. Methods This study adopted a four-phase Delphi consensus co-prioritization methodology. In phase 1, a systematic review of published interventions and global consultation of perioperative healthcare professionals were used to longlist interventions. In phase 2, iterative thematic analysis consolidated comparable interventions into a shortlist. In phase 3, the shortlist was co-prioritized based on patient and clinician views on acceptability, feasibility, and safety. In phase 4, ranked lists of interventions were presented by their relevance to high-income countries and low–middle-income countries. Results In phase 1, 43 interventions were identified, which had low uptake in practice according to 3042 professionals globally. In phase 2, a shortlist of 15 intervention domains was generated. In phase 3, interventions were deemed acceptable for more than 90 per cent of patients except for reducing general anaesthesia (84 per cent) and re-sterilization of ‘single-use’ consumables (86 per cent). In phase 4, the top three shortlisted interventions for high-income countries were: introducing recycling; reducing use of anaesthetic gases; and appropriate clinical waste processing. In phase 4, the top three shortlisted interventions for low–middle-income countries were: introducing reusable surgical devices; reducing use of consumables; and reducing the use of general anaesthesia. Conclusion This is a step toward environmentally sustainable operating environments with actionable interventions applicable to both high– and low–middle–income countries