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1.
Heparanase (Hpse) is an endo-β-D-glucuronidase capable of cleaving heparan sulfate side chains. Its upregulated expression is implicated in tumor growth, metastasis and angiogenesis, thus making it an attractive target in cancer therapeutics. Currently, a few small molecule inhibitors have been reported to inhibit Hpse, with promising oral administration and pharmacokinetic (PK) properties. In the present study, a ligand-based pharmacophore model was generated from a dataset of well-known active small molecule Hpse inhibitors which were observed to display favorable PK properties. The compounds from the InterBioScreen database of natural (69,034) and synthetic (195,469) molecules were first filtered for their drug-likeness and the pharmacophore model was used to screen the drug-like database. The compounds acquired from screening were subjected to molecular docking with Heparanase, where two molecules used in pharmacophore generation were used as reference. From the docking analysis, 33 compounds displayed higher docking scores than the reference and favorable interactions with the catalytic residues. Complex interactions were further evaluated by molecular dynamics simulations to assess their stability over a period of 50 ns. Furthermore, the binding free energies of the 33 compounds revealed 2 natural and 2 synthetic compounds, with better binding affinities than reference molecules, and were, therefore, deemed as hits. The hit compounds presented from this in silico investigation could act as potent Heparanase inhibitors and further serve as lead scaffolds to develop compounds targeting Heparanase upregulation in cancer.  相似文献   
2.
Metal Science and Heat Treatment - The TRIP effect and deformation behavior of metastable austenitic steel were studied under tension in the temperatures range from –120 to +200°C. The...  相似文献   
3.
Dense (~97%) CaO-stabilized ZrO2 ceramic was stabilized with minimum (3 mol%) doping (reported to date) and processed via conventional sintering at a low temperature (~1200°C); compositional analysis via X-ray florescence confirmed the CaO doping accuracy. Phase-pure tetragonal structure (characterized via both X-ray diffraction and Raman spectroscopy) along with uniform nanograins (90 nm) of the ceramic ensured the evolution of no monoclinic phase even after vigorous low-temperature degradation experiments (both thermal and hydrothermal aging for 80-100 h). The sintered ceramic recorded a high hardness (~15 GPa); the indentation toughness value was also comparable to a 3 mol% yttria-stabilized zirconia system. The remarkable structure–property correlations in the 3 mol% CaO-stabilized ZrO2 ceramic suggests that the same may be worth examining for suitable future applications (e.g., in dental ceramics).  相似文献   
4.
Journal of Electronic Testing - Applications like Recognition, Mining, and Synthesis (RMS) with error-resilience properties can use circuits that produce acceptable results. In other words, the...  相似文献   
5.
Metal Science and Heat Treatment - The effect retrogression and re-aging (RRA treatment) on the tensile properties in the transverse direction of extruded rods from aluminum alloy AA7049 is...  相似文献   
6.
Silicon - Quadruple gate FinFET is a promising candidate among other multi-gate MOS devices due to it’s better scalability and higher short channel effect suppression capability in advanced...  相似文献   
7.
Ramesh  S.  Anne  Gajanan  Kumar  Goutham  Jagadeesh  C.  Nayaka  H. Shivananda 《SILICON》2021,13(5):1549-1560
Silicon - In the present study, Mg-4Zn-1Si alloy was subjected to equal channel angular pressing (ECAP) up to 4 passes at 300 °C, followed by ball burnishing using 0.3 mm...  相似文献   
8.
Wireless Personal Communications - A Delay Tolerant Network (DTN) is a network capable of handling long delays and data loss efficiently in various challenged scenarios and environments. Owing to...  相似文献   
9.
Yb3+/Er3+codoped La10W22O81 (LWO) nanophosphor rods have been successfully synthesized by a facile hydrothermal assisted solid state reaction method, and their upconversion photoluminescence properties were systematically studied. X-ray diffraction patterns revealed that the nanophosphors have an orthorhombic structure with space group Pbcn (60). A microflowers-like morphology with irregular hexagonal nanorods was observed using field emission scanning electron microscopy for the Yb3+(2 mol%)/Er3+(2 mol%):LWO nanophosphor. The shape and size of the nanophosphor and the elements along with their ionic states in the material were confirmed by TEM and XPS studies, respectively. A green upconversion emission was observed in the Er3+: LWO nanophosphors under 980 nm laser excitation. A significant improvement in upconversion emission has been observed in the Er3+: LWO nanophosphors by increasing the Er3+ ion concentration. A decrease in the upconversion emission occurred due to concentration quenching when the doping concentration of Er3+ ions was greater than 2 mol%. An optimized Er3+(2 mol%): LWO nanophosphor exhibited a strong near infrared emission at 1.53 μm by 980 nm excitation. The green upconversion emission of Er3+(2 mol%): LWO was remarkably enhanced by co-doping with Yb3+ ions under 980 nm excitation because of energy transfer from Yb3+ to Er3+. The naked eye observed this upconversion emission when co-doping with 2 mol% Yb3+. In order to obtain the high upconversion green emission, the optimized sensitizer concentration of Yb3+ ions was found to be 2 mol%. The upconversion emission trends were studied as a function of stimulating laser power for an optimized sample. Moreover, the NIR emission intensity has also been enhanced by co-doping with Yb3+ ions due to energy transfer from Yb3+ to Er3+. The energy transfer dynamics were systematically elucidated by energy level scheme. Colorimetric coordinates were determined for Er3+ and Yb3+/Er3+: LWO nanophosphors. The energy transfer mechanism was well explained and substantiated by several fluorescence dynamics of upconversion emission spectra and CIE coordinates. The results demonstrated that the co-doped Yb3+(2 mol%)/Er3+(2 mol%): LWO nanophosphor material is found to be a suitable candidate for the novel upconversion photonic devices.  相似文献   
10.
Herein, we report effective, C-type lectin mannose receptor (MR)-selective, in vivo dendritic cell (DC)-targeting lipid nanoparticles (LNPs) of a novel lipid-containing mannose-mimicking di-shikimoyl- and guanidine head group and two n-hexadecyl hydrophobic tails (DSG). Subcutaneous administration of LNPs of the DSG/p-CMV-GFP complex showed a significant expression of green fluorescence protein in the CD11c+ DCs of the neighboring lymph nodes compared to the control LNPs of the BBG/p-CMV-GFP complex. Mannose receptor-facilitated in vivo DC-targeted vaccination (s.c.) with the electrostatic complex of LNPs of DSG/pCMV-MART1 stimulated long-lasting (270 days post B16F10 tumor challenge) antimelanoma immunity under prophylactic conditions. Remarkably, under therapeutic settings, vaccination (s.c.) with LNPs of the DSG/pCMV-MART1 complex significantly delayed melanoma growth and improved the survival of mice with melanoma. These findings demonstrate that this nonviral delivery system offers a resilient and potential approach to deliver DNA vaccines encoding tumor antigens to DCs in vivo with high efficacy.  相似文献   
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