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151.
Jiwon Choi Jun Seop Yun Hyeeun Song Yong-Keol Shin Young-Hoon Kang Palinda Ruvan Munashingha Jeongyeon Yoon Nam Hee Kim Hyun Sil Kim Jong In Yook Dongseob Tark Yun-Sook Lim Soon B. Hwang 《Molecules (Basel, Switzerland)》2021,26(12)
African swine fever virus (ASFV) causes a highly contagious and severe hemorrhagic viral disease with high mortality in domestic pigs of all ages. Although the virus is harmless to humans, the ongoing ASFV epidemic could have severe economic consequences for global food security. Recent studies have found a few antiviral agents that can inhibit ASFV infections. However, currently, there are no vaccines or antiviral drugs. Hence, there is an urgent need to identify new drugs to treat ASFV. Based on the structural information data on the targets of ASFV, we used molecular docking and machine learning models to identify novel antiviral agents. We confirmed that compounds with high affinity present in the region of interest belonged to subsets in the chemical space using principal component analysis and k-means clustering in molecular docking studies of FDA-approved drugs. These methods predicted pentagastrin as a potential antiviral drug against ASFVs. Finally, it was also observed that the compound had an inhibitory effect on AsfvPolX activity. Results from the present study suggest that molecular docking and machine learning models can play an important role in identifying potential antiviral drugs against ASFVs. 相似文献
152.
Thi Thanh Hanh Nguyen Jong-Hyun Jung Min-Kyu Kim Sangyong Lim Jae-Myoung Choi Byoungsang Chung Do-Won Kim Doman Kim 《Molecules (Basel, Switzerland)》2021,26(7)
The main protease (Mpro) is a major protease having an important role in viral replication of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the novel coronavirus that caused the pandemic of 2020. Here, active Mpro was obtained as a 34.5 kDa protein by overexpression in E. coli BL21 (DE3). The optimal pH and temperature of Mpro were 7.5 and 37 °C, respectively. Mpro displayed a Km value of 16 μM with Dabcyl-KTSAVLQ↓SGFRKME-Edans. Black garlic extract and 49 polyphenols were studied for their inhibitory effects on purified Mpro. The IC50 values were 137 μg/mL for black garlic extract and 9–197 μM for 15 polyphenols. The mixtures of tannic acid with puerarin, daidzein, and/or myricetin enhanced the inhibitory effects on Mpro. The structure–activity relationship of these polyphenols revealed that the hydroxyl group in C3′, C4′, C5′ in the B-ring, C3 in the C-ring, C7 in A-ring, the double bond between C2 and C3 in the C-ring, and glycosylation at C8 in the A-ring contributed to inhibitory effects of flavonoids on Mpro. 相似文献
153.
Young Her Tae-Kyeong Lee Ji Hyeon Ahn Soon Sung Lim Beom-Goo Kang Jung-Seok Park Bora Kim Hyejin Sim Jae-Chul Lee Hyun Sook Kim Tae Heung Sim Hyun Sam Lee Moo-Ho Won 《Molecules (Basel, Switzerland)》2021,26(1)
Since ancient times, various herbs have been used in Asia, including Korea, China, and Japan, for wound healing and antiaging of the skin. In this study, we manufactured and chemically analyzed a novel distillate obtained from a fermented mixture of nine anti-inflammatory herbs (Angelica gigas, Lonicera japonica, Dictamnus dasycarpus Turcz., D. opposita Thunb., Ulmus davidiana var. japonica, Hordeum vulgare var. hexastichon Aschers., Xanthium strumarium L., Cnidium officinale, and Houttuynia cordata Thunb.). The fermentation of natural plants possesses beneficial effects in living systems. These activities are attributed to the chemical conversion of the parent plants to functional constituents which show more potent biological activities. In our current study, the distillate has been manufactured after fermenting the nine oriental medical plants with Lactobacillus fermentum, followed by distilling. We analyzed the chemical ingredients involved in the distillate and evaluated the effects of topical application of the distillate on ultraviolet B (UVB)-induced skin damage in Institute of Cancer Research (ICR) mice. Topical application of the distillate significantly ameliorated the macroscopic and microscopic morphology of the dorsal skin against photodamage induced by UVB radiation. Additionally, our current results showed that topical application of the distillate alleviated collagen disruption and reduced levels of proinflammatory cytokines (tumor necrosis factor alpha and interleukin 1 β expressions) in the dorsal skin against UVB radiation. Taken together, our current findings suggest that the distillate has a potential to be used as a material to develop a photoprotective adjuvant. 相似文献
154.
A novel Fourier transform spectral interferometric (FTSI) multiplex coherent anti-Stokes Raman scattering (CARS) technique is developed to extract the vibrational spectrum equivalent to the spontaneous Raman scattering. The conventional FTSI method is modified to use the internal nonresonant CARS signal as a local oscillator to perform spectral interferometry. Utilizing the causality of the coherent vibration (i.e., there should be no signal before the laser excitation), this new FTSI method recovers the entire complex vibrational spectral parameters. We demonstrate this technique with a previously reported single-pulse multiplex CARS method that uses a single phase-controlled broadband ultrafast laser pulse. 相似文献
155.
We describe a technique to enhance both the weak-signal relative sensitivity and the dynamic range of a laser scanning optical microscope. The technique is based on maintaining a fixed detection power by fast feedback control of the illumination power, thereby transferring high measurement resolution to weak signals while virtually eliminating the possibility of image saturation. We analyze and demonstrate the benefits of adaptive illumination in two-photon fluorescence microscopy. 相似文献
156.
We investigate the multifractal properties of price increments in the cases of derivative and spot markets. Through the multifractal detrended fluctuation analysis, we estimate the generalized Hurst and the Renyi exponents for price fluctuations. By deriving the singularity spectrum from the above exponents, we quantify the multifractality of a financial time series and compare the multifractal properties of two different markets. The different behavior of each agent-group in transactions is also discussed. In order to identify the nature of the underlying multifractality, we apply the method of surrogate data to both sets of financial data. It is shown that multifractality due to a fat-tailed distribution is significant. 相似文献
157.
Bumhee Lim Yangyang Cheng Takehiro Kato Anh-Tuan Pham Eliott Le Du Abhaya Kumar Mishra Elija Grinhagena Dimitri Moreau Naomi Sakai Jerome Waser Stefan Matile 《Helvetica chimica acta》2021,104(8):e2100085
Thiol-mediated uptake is emerging as method of choice to penetrate cells. This study focuses on irreversible covalent inhibitors of thiol-mediated uptake. High-content high-throughput screening of the so far largest collection of hypervalent iodine reagents affords inhibitors that are more than 250 times more active than Ellman’s reagent and rival the best dynamic covalent inhibitors. Comparison with other irreversible reagents reveals that inhibition within one series follows reactivity, whereas inhibition across series deviates from reactivity. These trends support that molecular recognition, besides dynamic covalent exchange, contributes significantly to thiol-mediated uptake. The most powerful inhibitors besides the best hypervalent iodine reagents were Fukuyama’s nosyl protecting group and super-cinnamaldehydes that have been introduced as irreversible activators of the pain receptor TRPA1. Considering that several viruses use different forms of thiol-mediated uptake to enter cells, the identification of new irreversible inhibitors of thiol-mediated uptake is of general interest for the discovery of new antivirals. 相似文献
158.
159.
160.
Bilal Ahmed Seung-Bok Lee Rak-Hyun Song Jong-Won Lee Tak-Hyoung Lim Seok-Joo Park 《Journal of Solid State Electrochemistry》2014,18(2):435-443
(La0.8Sr0.2)0.95MnO3?δ (LSM)–Gd0.1Ce0.9O2?δ (gadolinium-doped ceria, GDC) composite cathode material was developed and characterized in terms of chemical stability, sintering behaviour, electrical conductivity, mechanical strength and microstructures to assess its feasibility as cathode support applications in cathode-supported fuel cell configurations. The sintering inhibition effect of LSM, in the presence of GDC, was observed and clearly demonstrated. The mechanical characterization of developed composites revealed that fracture behaviour is directly affected by pore size distribution. The Weibull strength distribution showed that for bimodal pore size distribution, two different fracture rates were present. Furthermore, the contiguity of LSM and GDC grains was calculated with image analysis, and correlation of microstructural features with mechanical and electrical properties was established. Subsequently, an LSM/GDC-based cathode-supported direct carbon fuel cell (DCFC) with Ni/ScSZ (scandia-stabilised zirconia) anode was successfully fabricated via slurry coating and co-firing techniques. The microstructures of electrodes and electrolyte layers were observed to confirm the desired morphology after co-sintering, and a single cell was electrochemically characterized in solid oxide fuel cell (SOFC) and DCFC mode with ambient air as oxidant. The higher values of open-circuit voltage indicated that the electrolyte layer prepared by vacuum slurry coating is dense enough. The corresponding peak power densities at 850 °C were 450 and 225 mW cm?2 in SOFC and DCFC mode, respectively. Electrochemical impedance spectroscopy was carried out to observe electrode polarization and ohmic resistance. 相似文献