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Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry

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https://www.readbyqxmd.com/read/30217087/theoretical-insights-into-the-electron-capture-behavior-of-h%C3%A2-so%C3%A2-%C3%A2-%C3%A2-%C3%A2-n%C3%A2-o-complex-a-dft-and-molecular-dynamics-study
#1
Wei-Hua Wang, Wen-Ling Feng, Wen-Liang Wang, Ping Li
Both sulfuric acid (H₂SO₄) and nitrous oxide (N₂O) play a central role in the atmospheric chemistry in regulating the global environment and climate changes. In this study, the interaction behavior between H₂SO₄ and N₂O before and after electron capture has been explored using the density functional theory (DFT) method as well as molecular dynamics simulation. The intermolecular interactions have been characterized by atoms in molecules (AIM), natural bond orbital (NBO), and reduced density gradient (RDG) analyses, respectively...
September 13, 2018: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/30217086/qsar-study-of-n-myristoyltransferase-inhibitors-of-antimalarial-agents
#2
Letícia Santos-Garcia, Marco Antônio de Mecenas Filho, Kamil Musilek, Kamil Kuca, Teodorico Castro Ramalho, Elaine Fontes Ferreira da Cunha
Malaria is a disease caused by protozoan parasites of the genus Plasmodium that affects millions of people worldwide. In recent years there have been parasite resistances to several drugs, including the first-line antimalarial treatment. With the aim of proposing new drugs candidates for the treatment of disease, Quantitative Structure⁻Activity Relationship (QSAR) methodology was applied to 83 N -myristoyltransferase inhibitors, synthesized by Leatherbarrow et al. The QSAR models were developed using 63 compounds, the training set, and externally validated using 20 compounds, the test set...
September 13, 2018: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/30217082/microfluidic-based-single-cell-study-current-status-and-future-perspective
#3
REVIEW
Haiwa Wu, Jing Zhu, Yao Huang, Daming Wu, Jingyao Sun
Investigation of cell behavior under different environments and manual operations can give information in specific cellular processes. Among all cell-based analysis, single-cell study occupies a peculiar position, while it can avoid the interaction effect within cell groups and provide more precise information. Microfluidic devices have played an increasingly important role in the field of single-cell study owing to their advantages: high efficiency, easy operation, and low cost. In this review, the applications of polymer-based microfluidics on cell manipulation, cell treatment, and cell analysis at single-cell level are detailed summarized...
September 13, 2018: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/30217074/bioavailability-of-tea-catechins-and-its-improvement
#4
REVIEW
Zhuo-Yu Cai, Xu-Min Li, Jin-Pei Liang, Li-Ping Xiang, Kai-Rong Wang, Yun-Long Shi, Rui Yang, Meng Shi, Jian-Hui Ye, Jian-Liang Lu, Xin-Qiang Zheng, Yue-Rong Liang
Many in vitro studies have shown that tea catechins had vevarious health beneficial effects. However, inconsistent results between in vitro and in vivo studies or between laboratory tests and epidemical studies are observed. Low bioavailability of tea catechins was an important factor leading to these inconsistencies. Research advances in bioavailability studies involving absorption and metabolic biotransformation of tea catechins were reviewed in the present paper. Related techniques for improving their bioavailability such as nanostructure-based drug delivery system, molecular modification, and co-administration of catechins with other bioactives were also discussed...
September 13, 2018: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/30217066/new-triterpenoid-from-novel-triterpenoid-15-o-glycosylation-on-ganoderic-acid-a-by-intestinal-bacteria-of-zebrafish
#5
Te-Sheng Chang, Chien-Min Chiang, Tzi-Yuan Wang, Chun-Hsien Lee, Yu-Wen Lee, Jiumn-Yih Wu
Functional bacteria that could biotransform triterpenoids may exist in the diverse microflora of fish intestines. Ganoderic acid A (GAA) is a major triterpenoid from the medicinal fungus Ganoderma lucidum . In studying the microbial biotransformation of GAA, dozens of intestinal bacteria were isolated from the excreta of zebrafish. The bacteria's ability to catalyze GAA were determined using ultra-performance liquid chromatography analysis. One positive strain, GA A07, was selected for functional studies. GA A07 was confirmed as Bacillus sp...
September 13, 2018: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/30217053/natural-peptides-in-drug-discovery-targeting-acetylcholinesterase
#6
REVIEW
Vivitri Prasasty, Muhammad Radifar, Enade Istyastono
Acetylcholinesterase-inhibitory peptide has gained much importance since it can inhibit acetylcholinesterase (AChE) and increase the availability of acetylcholine in cholinergic synapses, enhancing cholinergic transmission in pharmacological treatment of Alzheimer's disease (AD). Natural peptides have received considerable attention as biologically important substances as a source of AChE inhibitors. These natural peptides have high potential pharmaceutical and medicinal values due to their bioactivities as neuroprotective and neurodegenerative treatment activities...
September 13, 2018: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/30217005/sanggenon-c-stimulates-osteoblastic-proliferation-and-differentiation-inhibits-osteoclastic-resorption-and-ameliorates-prednisone-induced-osteoporosis-in-zebrafish-model
#7
Huijuan Wang, Tingting Feng, Donggui Guo, Min Zhang, Lin Chen, Ying Zhou
Sanggenon C (SC), which is a natural flavonoid found in the stem bark of Cortex Mori, has been discovered to have the antioxidant, anti-inflammatory, and antitumor properties. However, its effect in osteoporosis has not yet been reported. In this research, the effect of SC on the proliferation of MC3T3-E1 cells was evaluated by using the MTT assay. Alkaline phosphatase (ALP) activity and the mRNA expression of Runx2 , Collagen I , OPG , and RANKL were examined. TRAP-positive cell counting and bone resorption pits were adopted to observe the effect of SC on the formation and function of osteoclasts...
September 13, 2018: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/30216992/anti-inflammatory-and-skin-moisturizing-effects-of-a-flavonoid-glycoside-extracted-from-the-aquatic-plant-nymphoides-indica-in-human-keratinocytes
#8
You Ah Kim, Dong Hee Kim, Chae Bin Park, Tae Soon Park, Byoung Jun Park
Nymphoides indica , an aquatic plant, is used as folk medicine in some countries. Our previous study demonstrated that the methanol extract of N. indica inhibited the activity of tyrosinases, tyrosine related protein (TRP)1 and TRP2, and microphthalmia-associated transcription factor, as well as the activity of protein kinase A, by effectively inhibiting cyclic adenosine monophosphate. Although the biological activities of N. indica extract have been reported, there are no reports on the skin bioactivity of the main compound(s) on human keratinocytes...
September 13, 2018: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/30216987/the-amino-acid-composition-of-quadruplex-binding-proteins-reveals-a-shared-motif-and-predicts-new-potential-quadruplex-interactors
#9
Václav Brázda, Jiří Červeň, Martin Bartas, Nikol Mikysková, Jan Coufal, Petr Pečinka
The importance of local DNA structures in the regulation of basic cellular processes is an emerging field of research. Amongst local non-B DNA structures, G-quadruplexes are perhaps the most well-characterized to date, and their presence has been demonstrated in many genomes, including that of humans. G-quadruplexes are selectively bound by many regulatory proteins. In this paper, we have analyzed the amino acid composition of all seventy-seven described G-quadruplex binding proteins of Homo sapiens. Our comparison with amino acid frequencies in all human proteins and specific protein subsets (e...
September 13, 2018: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/30216986/optimization-of-antioxidant-and-skin-whitening-compounds-extraction-condition-from-tenebrio-molitor-larvae-mealworm
#10
Julie J Kim, Kyoung Seob Kim, Byung Jo Yu
Skin-whitening ingredients are a very important part of the development of functional cosmetics and a wide variety of raw materials are used. Tyrosinase is a key enzyme in the animal melanogenic pathway that is the rate-limiting step for the production of melanin. Several synthetic and naturally occurring tyrosinase inhibitors have been studied for skin-whitening. The development of natural agents is becoming more important due to the disadvantages of synthetics such as high cytotoxicity, insufficient penetration power, and low activity...
September 13, 2018: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/30216981/the-flavonoid-kaempferol-ameliorates-streptozotocin-induced-diabetes-by-suppressing-hepatic-glucose-production
#11
Hana Alkhalidy, Will Moore, Yao Wang, Jing Luo, Ryan P McMillan, Wei Zhen, Kequan Zhou, Dongmin Liu
In diabetes mellitus, the excessive rate of glucose production from the liver is considered a primary contributor for the development of hyperglycemia, in particular, fasting hyperglycemia. In this study, we investigated whether kaempferol, a flavonol present in several medicinal herbs and foods, can be used to ameliorate diabetes in an animal model of insulin deficiency and further explored the mechanism underlying the anti-diabetic effect of this flavonol. We demonstrate that oral administration of kaempferol (50 mg/kg/day) to streptozotocin-induced diabetic mice significantly improved hyperglycemia and reduced the incidence of overt diabetes from 100% to 77...
September 13, 2018: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/30216978/the-response-of-il-17-producing-b-cells-to-artinm-is-independent-of-its-interaction-with-tlr2-and-cd14
#12
Patrícia Kellen Martins Oliveira-Brito, Maria Cristina Roque-Barreira, Thiago Aparecido da Silva
ArtinM, a d-mannose-binding lectin from Artocarpus heterophyllus , activates antigen-presenting cells by recognizing Toll-like receptor (TLR)2 and cluster of differentiation (CD)14 N -glycans, induces cytokine production, and promotes type 1 T helper (Th1) immunity, a process that plays an assisting role in the combat against fungal infections. We recently demonstrated that ArtinM stimulates CD4⁺ T cells to produce interleukin (IL)-17 through direct interaction with CD3. Here, we further investigated the effects of ArtinM on the production of IL-17 by B cell activation...
September 13, 2018: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/30216975/selection-and-identification-of-novel-aptamers-specific-for-clenbuterol-based-on-ssdna-library-immobilized-selex-and-gold-nanoparticles-biosensor
#13
Xixia Liu, Qi Lu, Sirui Chen, Fang Wang, Jianjun Hou, Zhenlin Xu, Chen Meng, Tianyuan Hu, Yaoyao Hou
We describe a multiple combined strategy to discover novel aptamers specific for clenbuterol (CBL). An immobilized ssDNA library was used for the selection of specific aptamers using the systematic evolution of ligands by exponential enrichment (SELEX). Progress was monitored using real-time quantitative PCR (Q-PCR), and the enriched library was sequenced by high-throughput sequencing. Candidate aptamers were picked and preliminarily identified using a gold nanoparticles (AuNPs) biosensor. Bioactive aptamers were characterized for affinity, circular dichroism (CD), specificity and sensitivity...
September 13, 2018: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/30216974/therapeutic-potential-of-brazilian-cerrado-campomanesia-species-on-metabolic-dysfunctions
#14
REVIEW
Carla Maiara Lopes Cardozo, Aline Carla Inada, Gabriela Marcelino, Priscila Silva Figueiredo, Daniela Granja Arakaki, Priscila Aiko Hiane, Claudia Andrea Lima Cardoso, Rita de Cássia Avellaneda Guimarães, Karine de Cássia Freitas
Obesity, in conjunction with other metabolic disorders such as insulin resistance and dyslipidemia, is a feature of metabolic syndrome which is characterized by a pro-inflammatory state and increased oxidative stress. Therefore, antioxidant foods are proposed to prevent and treat these disorders. Medicinal plants are one of the main strategies in this regard. Guavira, a Brazilian Cerrado plant, contains different bioactive compounds with a high antioxidant capacity and without clinical or reproductive toxicity effects...
September 13, 2018: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/30213139/novel-protein-kinase-inhibitors-related-to-tau-pathology-modulate-tau-protein-self-interaction-using-a-luciferase-complementation-assay
#15
Max Holzer, Nico Schade, Ansgar Opitz, Isabel Hilbrich, Jens Stieler, Tim Vogel, Valentina Neukel, Moritz Oberstadt, Frank Totzke, Christoph Schächtele, Wolfgang Sippl, Andreas Hilgeroth
The current number of drugs available for the treatment of Alzheimer's disease (AD) is strongly limited and their benefit for therapy is given only in the early state of the disease. An effective therapy should affect those processes which mainly contribute to the neuronal decay. There have been many approaches for a reduction of toxic Aβ peptides which mostly failed to halt cognitive deterioration in patients. The formation of neurofibrillary tangles (NFT) and its precursor tau oligomers have been suggested as main cause of neuronal degeneration because of a direct correlation of their density to the degree of dementia...
September 12, 2018: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/30213130/suppressive-effects-of-egcg-on-cervical-cancer
#16
REVIEW
Ying-Qi Wang, Jian-Liang Lu, Yue-Rong Liang, Qing-Sheng Li
Cervical cancer is the fourth most common gynecological cancer worldwide. Although prophylactic vaccination presents the most effective method for cervical cancer prevention, chemotherapy is still the primary invasive intervention. It is urgent to exploit low-toxic natural anticancer drugs on account of high cytotoxicity and side-effects of conventional agents. As a natural product, (-)-epigallocatechingallate (EGCG) has abilities in anti-proliferation, anti-metastasis and pro-apoptosis of cervical cancer cells...
September 12, 2018: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/30213129/chemical-constituents-from-croton-species-and-their-biological-activities
#17
REVIEW
Wen-Hui Xu, Wei-Yi Liu, Qian Liang
The genus Croton belongs to the Euphorbiaceae family, which comprises approximately 1300 species. Many Croton species have been used as folk medicines. This review focuses on the chemical constituents from Croton species and their relevant biological activities, covering the period from 2006 to 2018. A total of 399 new compounds, including 339 diterpenoids, were reported. Diterpenoids are characteristic components of the Croton species. These isolated compounds exhibited a broad spectrum of bioactivities, including cytotoxic, anti-inflammatory, antifungal, acetylcholinesterase inhibitory, and neurite outgrowth-promoting properties...
September 12, 2018: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/30213127/rapid-determination-of-the-oil-and-moisture-contents-in-camellia-gauchowensis-chang-and-camellia-semiserrata-chi-seeds-kernels-by-near-infrared-reflectance-spectroscopy
#18
Yingzhong Zhang, Liangbo Zhang, Jing Wang, Xuxiao Tang, Hong Wu, Minghuai Wang, Wu Zeng, Qihui Mo, Yongquan Li, Jianwei Li, Yijuan Huang, Baohua Xu, Mengyu Zhang
A fast and effective determination method of different species of vegetable seeds oil is vital in the plant oil industry. The near-infrared reflectance spectroscopy (NIRS) method was developed in this study to analyze the oil and moisture contents of Camellia gauchowensis Chang and C. semiserrata Chi seeds kernels. Calibration and validation models were established using principal component analysis (PCA) and partial least squares (PLS) regression methods. In the prediction models of NIRS, the levels of accuracy obtained were sufficient for C...
September 12, 2018: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/30213125/validation-of-internal-control-genes-for-quantitative-real-time-pcr-gene-expression-analysis-in-morchella
#19
Qianqian Zhang, Wei Liu, Yingli Cai, A-Feng Lan, Yinbing Bian
The reliability of qRT-PCR results depend on the stability of reference genes used for normalization, suggesting the necessity of identification of reference genes before gene expression analysis. Morels are edible mushrooms well-known across the world and highly prized by many culinary kitchens. Here, several candidate genes were selected and designed according to the Morchella importuna transcriptome data. The stability of the candidate genes was evaluated with geNorm and NormFinder under three different experimental conditions, and several genes with excellent stability were selected...
September 12, 2018: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/30213123/synthesis-of-spirooxindole-o-naphthoquinone-tetrazolo-1-5-a-pyrimidine-hybrids-as-potential-anticancer-agents
#20
Liqiang Wu, Yunxia Liu, Yazhen Li
A series of novel spirooxindole- O -naphthoquinone-tetrazolo[1,5- a ]pyrimidine hybrids were designed, synthesized and evaluated as potent antitumor agents. These hybrids exhibited relatively high cytotoxic activity against cancer cell line HepG2 (IC50 = 2.86⁻36.34 μM), while normal cell line LO2 was less sensitive to these hybrids (IC50 = 36.37⁻248.39 μM). On the whole, among all the compounds tested, compound 4e , with a mean IC50 value of 2.86 μM, was the most active. The novel hybrids may find their pharmaceutical applications after further investigations...
September 12, 2018: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
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