Hmrbase: a database of hormones and their receptors

<p>Abstract</p> <p>Background</p> <p>Hormones are signaling molecules that play vital roles in various life processes, like growth and differentiation, physiology, and reproduction. These molecules are mostly secreted by endocrine glands, and transported to target organs through the bloodstream. Deficient, or excessive, levels of hormones are associated with several diseases such as cancer, osteoporosis, diabetes etc. Thus, it is important to collect and compile information about hormones and their receptors.</p> <p>Description</p> <p>This manuscript describes a database called Hmrbase which has been developed for managing information about hormones and their receptors. It is a highly curated database for which information has been collected from the literature and the public databases. The current version of Hmrbase contains comprehensive information about ~2000 hormones, e.g., about their function, source organism, receptors, mature sequences, structures etc. Hmrbase also contains information about ~3000 hormone receptors, in terms of amino acid sequences, subcellular localizations, ligands, and post-translational modifications etc. One of the major features of this database is that it provides data about ~4100 hormone-receptor pairs. A number of online tools have been integrated into the database, to provide the facilities like keyword search, structure-based search, mapping of a given peptide(s) on the hormone/receptor sequence, sequence similarity search. This database also provides a number of external links to other resources/databases in order to help in the retrieving of further related information.</p> <p>Conclusion</p> <p>Owing to the high impact of endocrine research in the biomedical sciences, the Hmrbase could become a leading data portal for researchers. The salient features of Hmrbase are hormone-receptor pair-related information, mapping of peptide stretches on the protein sequences of hormones and receptors, Pfam domain annotations, categorical browsing options, online data submission, DrugPedia linkage etc. Hmrbase is available online for public from <url>http://crdd.osdd.net/raghava/hmrbase/</url>.</p

Curie temperature engineering in a novel 2D analog of iron ore (hematene) via strain

As a newly exfoliated magnetic 2D material from hematite, hematene is the most far-reaching ultrathin magnetic indirect bandgap semiconductor. We have carried out a detailed structural analysis of hematene via prefacing strain by means of first-principles calculations based on density functional theory (DFT). Hematene in the pristine form emerges out to be a magnetic semiconductor with a bandgap of 1.0/2.0 eV for the majority/minority spin channel. The dependence of magnetic anisotropy energy (MAE), TC, and the bandgap on compressive and tensile strains has been scanned exclusively. It is examined that TC depends firmly on the compressive strain and increases up to 21.1% at a compressive strain of 6% whereas it decreases significantly for tensile strain. The MAE is negatively correlated with the tensile and compressive strain. The value of MAE for all compressive strain cases is more than that of the pristine hematene. These results summarize that the studied 2D hematene has broad application prospects in spintronics, memory-based devices, and valleytronics

Dose optimization of ceftriaxone-vancomycin combination using fractional inhibitory concentration kinetics in resistant bacteria

The notorious Staphylococcus aureus resistant strains with ever changing resistance patterns have limited treatment options and have led to substantial number of deaths. Almost dried antibiotic pipeline has led us to look into combinations of already approved antibiotics for tackling rising incidence of antibacterial resistance. Recommended use of vancomycin and ceftriaxone together for treating severe infections involving resistant S. aureus is limited by dose adjustments and different dose frequencies. We have developed a pharmacodynamically synergistic fixed dose combination (FDC) of ceftriaxone and vancomycin (2:1), for eliminating individual component dose adjustments and frequencies. For identification of optimum exposure-response of FDC, one compartment in vitro system was used for dose escalation, fractionation and dose-response studies. The in-silico pharmacokinetic/pharmacodynamic (PK/PD) modeling, simulations and validations were done. The results suggested % T>MICcomb (percentage of time fractional inhibitory concentrations of the drugs combined remained above the MICcomb [minimum inhibitory concentration for FDC]) followed by AUCcomb/MICcomb (ratio of area under fractional inhibitory curves to MICcomb) can predict the exposure (dose of FDC)-response (reduction in bacterial load) relationships effectively (r2 >0.9). Total exposure of 6 g in two divided doses (3 g each) was identified to be optimum. Monte Carlo simulations were performed to evaluate the effect of increasing doses against different MICs. Clinical breakpoint of the FDC was identified to be 4 µg/mL, which was 2 fold higher than that of vancomycin suggesting better antibacterial coverage

Effectiveness of pegylated erythropoietin in renal anaemia patients on dialysis-a multicentre, cross-sectional, observational outcome study

Background: Low dose of pegylated erythropoietin (PegEPO) is better than conventional erythropoietin stimulating agents (ESAs) in improving hyporesponsiveness and maintaining stable haemoglobin (Hb) levels in renal anaemic patients undergoing hemodialysis. This real-world study aimed to assess effectiveness and safety of low-dose PegEPO (30 µg/0.3 mL), administered at different time-points in renal anaemia patients on dialysis. Methods: HEMEPEG (HEMoglobin outcomE with PegEPO) was a multicentre, retrospective, cross-sectional, observational study of renal anaemia patients receiving PegEPO up to 3 months. The study assessed an increase in Hb, patients achieving Hb 10-12 g/dl, and Hb increase by ≥1 and ≥2 g/dl. Results: Data from 223 out of 273 patients from 19 Indian centers were analyzed. PegEPO was administered weekly to 132 patients (59.19%), with 38.64% being diabetic and 77.27% previously treated with ESAs. Ten day dosing was given to 91 patients (40.81%), including 46.15% diabetic patients and 72.53% previously treated with ESAs. A Significant (p&lt;0.0001) increase in mean Hb levels from baseline to day 30, 60 and 90 were observed for both studied groups, with a target Hb of 10-12 g/dl achieved in 51.08% and 52.85% of patients in the respective groups after 3 months. An increase in Hb by ≥1 and ≥2 g/dl were observed in weekly (68.67% and 45.78%) and 10-day group (77.14% and 50.00%) patients, respectively. Conclusions: PegEPO (30 µg/0.3 mL) was effective treatment of renal anaemia and diabetic chronic kidney disease (CKD) patients on dialysis when administered weekly or every 10 days over a 3-month treatment period

Mesenchymal Stromal Cell-Derived Tailored Exosomes Treat Bacteria-Associated Diabetes Foot Ulcers: A Customized Approach From Bench to Bed

Exosomes are nano-vesicles of endosomal origin inherited with characteristics of drug delivery and cargo loading. Exosomes offer a diverse range of opportunities that can be exploited in the treatment of various diseases post-functionalization. This membrane engineering is recently being used in the management of bacteria-associated diabetic foot ulcers (DFUs). Diabetes mellitus (DM) is among the most crippling disease of society with a large share of its imposing economic burden. DM in a chronic state is associated with the development of micro- and macrovascular complications. DFU is among the diabetic microvascular complications with the consequent occurrence of diabetic peripheral neuropathy. Mesenchymal stromal cell (MSC)-derived exosomes post-tailoring hold promise to accelerate the diabetic wound repair in DFU associated with bacterial inhabitant. These exosomes promote the antibacterial properties with regenerative activity by loading bioactive molecules like growth factors, nucleic acids, and proteins, and non-bioactive substances like antibiotics. Functionalization of MSC-derived exosomes is mediated by various physical, chemical, and biological processes that effectively load the desired cargo into the exosomes for targeted delivery at specific bacterial DFUs and wound. The present study focused on the application of the cargo-loaded exosomes in the treatment of DFU and also emphasizes the different approaches for loading the desired cargo/drug inside exosomes. However, more studies and clinical trials are needed in the domain to explore this membrane engineering

Optical characterization of ZnO nanoparticles capped with various surfactants

The presence of surfactants (Hexamine, tetraethylammonium bromide (TEAB), cetyltrimethylammonium bromide (CTAB), tetraoctylammonium bromide (TOAB) and PVP) on the surface of zinc oxide (ZnO) nanoparticles resulted variation in their optical properties. The optical properties of each surfactant-capped zinc oxide nanoparticles were investigated using UV–visible absorption and fluorescence techniques. The particle size of these nanoparticles were calculated from their absorption edge, and found to be in the quantum confinement range. The absorption spectra and fluorescent emission spectra showed a significant blue shift compared to that of the bulk zinc oxide. Large reduction in the intensity of visible emission of zinc oxide/surfactant was observed and these emissions were vanished more quickly, with the decrease in excitation energy, for the smaller nanoparticles. Out of the four surfactants (other than PVP), CTAB-capped zinc oxide has smallest particle size of 2.4 nm, as calculated from the absorption spectrum. Thus the presence of surfactant on the surface of zinc oxide plays a significant role in reducing defect emissions. Furthermore, ZnO/PVP nanoparticles showed no separate UV emission peak; however, the excitonic UV emission and the visible emission at 420 nm overlap to form a single broad band around 420 nm

Fabrication of Langmuir-Blodgett film from Polyvinylpyrrolidone stabilized NiCo alloy nanoparticles

The fabrication of monolayer/multilayer films of Polyvinylpyrrolidone (PVP) stabilized NiCo alloy nanoparticles with an average particle size 7 nm via Langmuir–Blodgett method is presented in this paper. The NiCo alloy nanoparticles were synthesized in ethanol using hydrazine hydrate as reducing agent at 60 °C in the presence of PVP and washed with a mixture of chloroform–methanol (1:1) solution to get pure PVP capped alloy nanoparticles. The NiCo alloy suspension was spread to the interface of air/water and transferred to the glass surface. The formation of a Langmuir monolayer/multilayer of PVP stabilized NiCo particles at air/water interface were revealed with the pressure-area isotherm curve. The transfer of nanoparticles on the glass surface was found to be efficient for the first six layers as exhibited by the pressure-area isotherm and increases in absorption intensity in the UV–Vis range. The atomic force microscopy results show that this film has a cubic symmetry in a two dimensional (2D) array. Manish Kumara, Anjali Pathaka, Mandeep Singhb, M.L. Singlaa

Thermal and electrical behavior of silver chloride/polyaniline nanocomposite synthesized in aqueous medium using hydrogen peroxide

Nanocomposites of AgCl/PANI were synthesized by chemical polymerization/precipitation in aqueous HCl solution using both aniline monomer and AgNO3 precursors in different molar ratio in PVP. Silver ions interact with PVP which restrict the bulk growth of AgCl and keep it in nanosized. During synthesis, AgCl NPs got entrapped in PANI chains through inter-chain hydrogen bonding. TGA studies showed complete decomposition of polymer chains occurred at 30–40 °C higher temperature than PANI alone. DSC studies indicate higher thermal stability of the composite, which is due to more heat flow for decomposition of polymer chains indicating compact packing of polymer matrix with AgCl NPs having large surface area to volume ratio. The TEM image showed spherical NPs were randomly dispersed in a polymer matrix and from XRD data crystalline nature of composite was seen. In FT-IR spectrum strong absorption band of a carbonyl stretching group due to PVP indicates its presence on nanoparticle surface in composite. Thin films of nanocomposite were spin casted on ITO coated glass surface. Electrical conductance was calculated from I–V data which was found to be in the range of 10−2–10−7 S cm−1 depending on the concentration of NPs in it. These composites may find applications in solar cells as semiconductor material and for designing multiarray sensors for quality interpretation of beverages on the basis of their conductance changes using soft computing technique

Mechanism for the formation of low aspect ratio of La(OH)3 nanorods in aqueous solution: thermal and frequency dependent behaviour

La(OH)3 nanorods of length varying between 30 and 50 nm with aspect ratio of 2–5 were synthesized in aqueous solution using hydrazine hydrate in presence of mixture of cationic N-cetyl-N,N,N,trimethylammonium bromide (CTAB) and tetra-n-butylammonium bromide (TBAB) surfactants. The resultant product was characterized for its morphology and structure using XRD, TEM and FT-IR. Thermal stability studied using TGA indicated good stability. Surfactants in reaction mixture reduces the surface tension of the solution which lowers the energy needed to form a new phase, resulting in the formation of La(OH)3 crystals of anisotropic shape with low aspect ratio. The A.C. conductivity was found to be of the order of nano-seimen (ns), which non-linearly increases with the increase in frequency (102–106 Hz) The capacitance behaviour was observed in pF in mid frequency region, which can be useful as low loss dielectric material. Nano rods may work as standard materials to monitor conductivity levels in biofluid proteins

Tuning of Magnetism and Band Gap in 2D-Chromia via Strain Engineering

915-918The area of intrinsic two-dimensional (2D) materials is spreading widely day by day due to their easily availability and interesting applications. As a newly exfoliated 2D material from bulk Cr2O3 mineral, 2D-Chromia is most far ultrathin magnetic indirect band gap semiconductor with low Curie Temperature (TC). For the present work, we have carried out the detailed structural analysis of 2D-Chromia by prefacing strain via means of density functional theory (DFT). 2D-Chromia in pristine form comes out to ferromagnetic with considerable total spin magnetic moment of 12 μB per unit cell and large band gap (0.72/3.71 eV in majority/minority spin channel). But the presence of low TC and large band gap limits its applications. Thus, in present work, we have checked the dependence of magnetic state and band gap on tensile and compressive strains. Our results indicate that band gap depends strongly on both the strains but magnetic ground state remains unaffected on applying strain. These findings summarize that the resulting 2D-Chromia under study has broad application prospective in spintronics, transistors, and memory-based devices