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1.
Shraddha Parate Vikas Kumar Danishuddin Jong Chan Hong Keun Woo Lee 《International journal of molecular sciences》2021,22(10)
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.
Jena Sisir Kumar Biswas Santosh Deka Jatindra Kumar 《Journal of Electronic Testing》2021,37(5-6):633-652
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
3.
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
4.
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
5.
K. Naveen Kumar L. Vijayalakshmi Hyeongyu Bae Kang Taek Lee Pyung Hwang Jungwook Choi 《Ceramics International》2021,47(4):4563-4571
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
6.
Dr. Gopikrishna Moku Dr. Swathi Vangala Dr. Suresh Kumar Gulla Venu Yakati 《Chembiochem : a European journal of chemical biology》2021,22(3):523-531
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
7.
8.
Ashish Ganvir Mohit Gupta Nitish Kumar Nicolaie Markocsan 《Ceramics International》2021,47(1):272-283
This paper investigates the influence of suspension characteristics on microstructure and performance of suspensions plasma sprayed (SPS) thermal barrier coatings (TBCs). Five suspensions were produced using various suspension characteristics, namely, type of solvent and solid load content, and the resultant suspensions were utilized to deposit five different TBCs under identical processing conditions. The produced TBCs were evaluated for their performance i.e. thermal conductivity, thermal cyclic fatigue (TCF) and thermal shock (TS) lifetime. This experimental study revealed that the differences in the microstructure of SPS TBCs produced using varied suspensions resulted in a wide-ranging overall TBC performance. All TBCs exhibited thermal conductivity lower than 1 W/(m. K) except water-ethanol mixed suspension produced TBC. The TS lifetime was also affected to a large extent where 10 wt % solid loaded ethanol and 25 wt % solid loaded water suspensions produced TBCs exhibited the highest and the lowest lifetime, respectively. On the contrary, TCF lifetime was not as significantly affected as thermal conductivity and TS lifetime, and all ethanol suspensions showed marginally better TCF lifetime than water and ethanol-water mixed suspensions deposited TBCs. 相似文献
9.
In the present work, two types of shear thickening fluids have been synthesized by using neat and aminosilane functionalized silica nanoparticles and their viscosity curves have been obtained by the rheometer. Based on the values of peak viscosity of synthesized shear thickening fluids, the surface functionalized nanosilica based shear thickening fluid has been chosen as a best candidate due to the high viscosity for impregnation into the neat Kevlar of different layers viz. four (04) and eight (08) layers for velocity impact study. The experimental investigations reveal high energy absorption of shear thickening fluid impregnated Kevlar as compared to the neat Kevlar. The maximum energy absorption 62 J is achieved corresponding to the initial velocity 154 m∙s−1 for 08 layers shear thickening fluid impregnated Kevlar specimen. The data have also been analytically determined and validated with the experimental data. The experimental data have good agreement with the analytical data within the accuracy of around 15 to 20%. The present findings can have significant inferences towards the fabrication of shear thickening fluids using nanomaterials for numerous applications such as soft armors, dampers, nanofinishing and so forth. 相似文献
10.
Dr. Md Kausar Raza Aisha Noor Dr. Paresh Kumar Samantaray 《Chembiochem : a European journal of chemical biology》2021,22(23):3270-3272
Individually, photoredox catalysis (PC) and photodynamic therapy (PDT) are well-established concepts that have experienced a remarkable resurgence in recent years, leading to significant progress in organic synthesis for PC and clinical approval of anticancer drugs for PDT. But, very recently, new photoredox catalyst systems based on Ir(III) and Ru(II) complexes have garnered significant interest because they can simultaneously be used as PDT agents apart from their demonstrated PC activity. This highlight discusses the unique PC behavior of emerging Ir(III)- and Ru(II)-based systems while also examining their potential PDT activity in cancer treatment. 相似文献