A5100613179- Cholinesterase and Neurodegenerative Diseases
- Computational Drug Discovery Methods
- Graphene research and applications
- Silicon and Solar Cell Technologies
- Alzheimer's disease research and treatments
- Endoplasmic Reticulum Stress and Disease
- Graphene and Nanomaterials Applications
- Autophagy in Disease and Therapy
- Nuclear Materials and Properties
- Nicotinic Acetylcholine Receptors Study
- Genomics, phytochemicals, and oxidative stress
- Semiconductor materials and interfaces
- Carbon Nanotubes in Composites
- Chemical synthesis and alkaloids
- nanoparticles nucleation surface interactions
- Membrane Separation Technologies
- Graphite, nuclear technology, radiation studies
- High-pressure geophysics and materials
- Gear and Bearing Dynamics Analysis
- Fiber-reinforced polymer composites
- Protein Structure and Dynamics
- Laser-Ablation Synthesis of Nanoparticles
- Cancer-related gene regulation
- Medicinal Plants and Neuroprotection
- Biochemical and Structural Characterization
Xi'an Jiaotong University
2021-2024
Tiangong University
2023
Shanghai University of Engineering Science
2023
University of Science and Technology Liaoning
2023
China Pharmaceutical University
2018-2022
Caelum Research Corporation (United States)
2000
To discover novel BChE inhibitors, a hierarchical virtual screening protocol followed by biochemical evaluation was applied. The most potent compound 8012-9656 (eqBChE IC50 = 0.18 ± 0.03 μM, hBChE 0.32 0.07 μM) purchased and synthesized. It inhibited in noncompetitive manner could occupy the binding pocket forming diverse interactions with target. proven to be safe vivo vitro showed comparable performance ameliorating scopolamine-induced cognition impairment tacrine. Additionally, treatment...
Herein, we report a series of selective sub-nanomolar inhibitors against butyrylcholinesterase (BChE). These compounds, bearing novel N-benzyl benzamide scaffold, inhibited BChE with IC50 from picomolar to nanomolar. The inhibitory activity was confirmed by the surface plasmon resonance assay, showing KD value, which revealed that compounds exert effect through directly binding BChE. Several showed neuroprotective effects verified oxidative damage model. Furthermore, safety S11-1014 and...
p62/SQSTM1, encoded by gene SQSTM1, is widely known as an adaptor protein of selective autophagy to promote aggregate-prone proteins for degradation. It also a stress-induced scaffold involved in Nrf2 activation resist oxidative stress. Multiple domains p62 interact with several essential pathways implicated cell differentiation and proliferation, placing at significant position mediate survival apoptosis. The has been suggested potential target recent years, since its abnormal expression or...
Histone demethylation is a vital process in epigenetic regulation of gene expression. A number histone demethylases are present to control the methylated states histone. Among these enzymes, KDM4s one subfamily JmjC KDMs and play important roles both normal cancer cells. The discovery inhibitors potential therapeutic strategy against different diseases including cancer. Here, we summarize development some related pharmaceutical information provide an update recent progress inhibitors.
A series of novel compounds 6a–h, 8i–1, 10s–v, and 16a–d were synthesized evaluated, together with the known analogs 11a–f, for their inhibitory activities towards acetylcholinesterase (AChE) butyrylcholinesterase (BChE). The AChE BChE evaluated in vitro by Ellman method. results show that some have good activity against BChE. Among them, compound 8i showed strongest effect on both (eeAChE IC50 = 0.39 μM) (eqBChE 0.28 μM). Enzyme inhibition kinetics molecular modeling studies shown bind...
Chemical vapor deposition (CVD) is a crucial technique to prepare high-quality graphene because of its controllability. In the research, we perform systematic computational fluid dynamics numerical investigation on effect gas-phase reaction growth in horizontal tube CVD reactor. The research results indicate that chemical reactions reactor are nonequilibrium state, as evidenced by comparison species mole fraction distributions during process and under equilibrium conditions. rate different...
Background: Discovery of effective autophagy-initiating kinase ULK1 inhibitors has attracted more and attention in cancer treatment. Methodology & results: The present study describes the application a pharmacophore-based virtual screening structure-based docking approach guided drug design. Compound U-2 exhibited nanomolar range IC50 against target. Molecular dynamics simulation was used to assess quality studies. determinants binding affinity were investigated, different pattern observed....
It has long been suggested that the familiar intrinsic point defects (vacancies and self-interstitials) encountered in crystals at low temperatures ($T$) transform into extended domains characterized by a missing or excess atom compared with same-sized region perfect crystal so such may be viewed as dropletlike regions of enhanced diminished density. However, implications transformation, whether it even occurs crystalline Si, remain uncertain. To address this fundamental problem, we consider...
ABSTRACTABSTRACTThe crimping and aggregation of graphene in the matrix often affect properties composites. Herein, we successfully constructed fluorinated oxide (FGO) with interlayer support structure to improve epoxy We employed diamine as a spacer investigated effects three diamines different structures on modification FGO detail. modified by p-phenylenediamine (PPD-FGO) had maximum spacing, presenting good stability antiaggregation properties. Moreover, addition PPD-FGO makes resin...
Chemical vapor deposition (CVD) is an affordable method for the preparation of large-scale and high-quality graphene. With increase in CVD reactor size, gas mass transfer, flow state, phase dynamics become more complicated. In this study, computational fluid used to investigate factors affecting uniformity graphene growth under different conditions configurations. The dimensionless number defined paper Grashof are utilized distinguish species transfer patterns states, respectively. A...
Chemical vapor deposition is an affordable method for producing high-quality graphene. Microscopic defects in graphene grown on copper substrates, such as five- and seven-membered rings, degrade the quality of Therefore, it essential to study growth process factors affecting surfaces. In this study, first-principles calculations based density functional theory show that four-step dehydrogenation reaction methane endothermic, with energy barrier last step being relatively high. Additionally,...
Atomic transport properties, in particular, the self-diffusion and shear viscosity of silicon melt at high temperature near melting point are studied employing classical molecular dynamics simulations based on multiple empirical interatomic potentials. We found that diffusion coefficients predicted by potentials follow Stokes-Einstein (SE) relation although both which deviate from experiment values. The discrepancy between calculated experimental analyzed using SE relation. demonstrate is...