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1.
Background: CDK4/6 (Cyclin-dependent kinases 4/6) are the key promoters of cell cycle transition from G1 phase to S phase. Thus, selective inhibition of CDK4/6 is a promising cancer treatment. Methods: A total of 52,765 marine natural products were screened for CDK4/6. To screen out better natural compounds, pharmacophore models were first generated, then the absorption, distribution, metabolism, elimination, and toxicity (ADMET) were tested, followed by molecular docking. Finally, molecular dynamics simulation was carried out to verify the binding characteristics of the selected compounds. Results: Eighty-seven marine small molecules were screened based on the pharmacophore model. Then, compounds 41369 and 50843 were selected according to the ADMET and molecular docking score for further kinetic simulation evaluation. Finally, through molecular dynamics analysis, it was confirmed that compound 50843 maintained a stable conformation with the target protein, so it has the opportunity to become an inhibitor of CDK4/6. Conclusion: Through structure-based pharmacophore modeling, ADMET, the molecular docking method and molecular dynamics (MD) simulation, marine natural compound 50843 was proposed as a promising marine inhibitor of CDK4/6. 相似文献
2.
本文利用Signa1P3.0两种算法NN(neural network)和HMM(hidden markov model)对水稻基因组中59712个ORF进行了初步的筛选,其中有4433个ORF编码的蛋白具有分泌特性,占整个基因组的7.3%。4433个具有分泌特性的蛋白,在染色体的分布是不均一的。在1号染色体的所占的比例最多,为8.8%;而12号染色体上所占的比例最少,为5.0%。其中在具有分泌特性的蛋白中,酶类、非酶类和推测蛋白分别占具有分泌型信号肽蛋白的24.9%、45.7%和29.5%。 相似文献
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Direct-fed microbials(DFMs) are feed additives containing live naturally existing microbes that can benefit animals’ health and production performance. Due to the banned or strictly limited prophylactic and growth promoting usage of antibiotics, DFMs have been considered as one of antimicrobial alternatives in livestock industry.Microorganisms used as DFMs for ruminants usually consist of bacteria including lactic acid producing bacteria,lactic acid utilizing bacteria and other bacterial groups,... 相似文献
5.
Qionglin Chen Xinlei Yu Shixia Liu Suya Luo Xiaojiao Chen Nianjun Xu Xue Sun 《Marine drugs》2022,20(7)
Agar is widely applied across the food, pharmaceutical and biotechnology industries, owing to its various bioactive functions. To better understand the agar biosynthesis in commercial seaweed Gracilariopsis lemaneiformis, the activities of four enzymes participating in the agar biosynthesis were detected, and phosphoglucomutase (PGM) was confirmed as highly correlated with agar accumulation. Three genes of PGM (GlPGM1, GlPGM2 and GlPGM3) were identified from the G. lemaneiformis genome. The subcellular localization analysis validated that GlPGM1 was located in the chloroplast and GlPGM3 was not significantly distributed in the organelles. Both the GlPGM1 and GlPGM3 protein levels showed a remarkable consistency with the agar variations, and GlPGM3 may participate in the carbon flux between (iso)floridoside, floridean starch and agar synthesis. After treatment with the PGM inhibitor, the agar and floridean starch contents and the activities of floridean starch synthase were significantly decreased; products identified in the Calvin cycle, the pentose phosphate pathway, the Embden-Meyerhof-Parnas pathway and the tricarboxylic acid cycle were depressed; however, lipids, phenolic acids and the intermediate metabolites, fructose-1,6-phosphate were upregulated. These findings reveal the essential role of PGM in regulating the carbon flux between agar and other carbohydrates in G. lemaneiformis, providing a guide for the artificial regulation of agar accumulation. 相似文献
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Du Hwan Chun 《Fibers and Polymers》2017,18(9):1790-1795
The numerical analysis was performed to predict the potential problem, often occurring during the manufacturing process of the disposable medical device of a great volume. The cavity filling analyses were performed for the new design of the 3cc Syringe Barrel using polypropylene(PP1), and a new nucleated polypropylene(PP2) material for better clarity. These analyses have been performed for different processing conditions as well as various wall thickness designs for both materials. With the nucleated material, only the original wall thickness design has been studied at two different processing conditions for comparison purpose. This study was conducted to investigate the optimum part design and processing condition for two different materials. The most desirable design was selected with Design 3 for material utilization and reduced flow stresses by comparing the field results. The new nucleated polypropylene provided slightly better product quality and processing. 相似文献
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Cristina E. Almeida-Naranjo Patricio J. Espinoza-Montero Marcelo I. Muñoz-Rodríguez Cristina A. Villamar-Ayala 《Water, air, and soil pollution》2017,228(7):253
Hydraulic retention time (HRT) influence improving sludge flocculation with adding the polyelectrolytes (non-ionic, anionic, and cationic) was studied on an activated sludge (AS) system fed with synthetic domestic wastewater (SDW), dairy industry wastewater (DIW), and caramel industry wastewater (CIW). The sludge volumetric index, food/microorganism ratio (F/M), and mixed liquor volatile suspended solids at different HRTs (6, 8 and 10 h) were monitored on an experimental model. Results showed that both SDW and IW had the best sludge flocculation conditions at 8 h and 100 mL of non-ionic polyelectrolyte (0.2 mg L?1). In addition, this phenomenon reached the organic matter removal efficiencies of 95.9, 95.7, and 94.2% for SDW, DIW, and CIW, respectively. Therefore, optimum HRT increased the organic matter removal efficiencies by 10%, sludge concentration by 37% (22–55%), and F/M ratio by 70%. Moreover, the polyelectrolytes used in AS improved the sludge flocculation by 2.9 times. 相似文献
10.
Stacy N. Galleher Matthew R. Gilg Kelly J. Smith 《Fish physiology and biochemistry》2010,36(3):731-740
Fundulus heteroclitus and F. grandis are resident salt marsh fishes that overlap in distribution over a narrow range in northeastern Florida. The objective of
the present study was to examine whether the limits of the species’ ranges could be explained by differences in thermal tolerance.
Two populations of each species were collected and then spawned in the laboratory, and 9-day-old larvae were used for critical
thermal maxima trials. Mean LOE temperatures of larvae ranged from 43.04 to 43.65°C and showed little difference between species.
Therefore, differences in high temperatures experienced cannot account for the differences of the distributions of the two
species. Condition-specific competition may play a greater role in determining the observed range of the two species. 相似文献