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Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry

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https://read.qxmd.com/read/30781706/desmol2-an-effective-tool-for-the-construction-of-molecular-libraries-and-its-application-to-qsar-using-molecular-topology
#1
Inma García-Pereira, Riccardo Zanni, Maria Galvez-Llompart, Jorge Galvez, Ramón García-Domenech
A web application, DesMol2, which offers two main functionalities, is presented: the construction of molecular libraries and the calculation of topological indices. These functionalities are explained through a practical example of research of active molecules to the formylpeptide receptor (FPR), a receptor associated with chronic inflammation in systemic amyloidosis and Alzheimer's disease. Starting from a data(base) of 106 dioxopiperazine pyrrolidin piperazine derivatives and their respective constant values of binding affinity to FPR, multilinear regression and discriminant analyses are performed to calculate several predictive topological-mathematical models...
February 18, 2019: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://read.qxmd.com/read/30781678/new-metabolic-influencer-on-oxytocin-release-the-ghrelin
#2
Renáta Szabó, Rudolf Ménesi, Andor H Molnár, Zita Szalai, Lejla Daruka, Gábor Tóth, János Gardi, Márta Gálfi, Denise Börzsei, Krisztina Kupai, Anna Juhász, Marianna Radács, Ferenc A László, Csaba Varga, Anikó Pósa
BACKGROUND: The hypothalamic⁻pituitary axis by secreting neuropeptides plays a key role in metabolic homeostasis. In light of the metabolic regulation, oxytocin is a potential neuropeptide for therapies against obesity and related disorders. The aim of our study is to measure ghrelin-induced oxytocin secretion in rats and to detect the changes after administration of ghrelin antagonist. METHODS: Ghrelin was administrated centrally (intracerebroventricular, i.c...
February 18, 2019: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://read.qxmd.com/read/30781675/multicharged-phthalocyanines-as-selective-ligands-for-g-quadruplex-dna-structures
#3
Catarina I V Ramos, Susana P Almeida, Leandro M O Lourenço, Patrícia M R Pereira, Rosa Fernandes, M Amparo F Faustino, João P C Tomé, Josué Carvalho, Carla Cruz, M Graça P M S Neves
The stabilization of G-Quadruplex DNA structures by ligands is a promising strategy for telomerase inhibition in cancer therapy since this enzyme is responsible for the unlimited proliferation of cancer cells. To assess the potential of a compound as a telomerase inhibitor, selectivity for quadruplex over duplex DNA is a fundamental attribute, as the drug must be able to recognize quadruplex DNA in the presence of a large amount of duplex DNA, in the cellular nucleus. By using different spectroscopic techniques, such as ultraviolet-visible, fluorescence and circular dichroism, this work evaluates the potential of a series of multicharged phthalocyanines, bearing four or eight positive charges, as G-Quadruplex stabilizing ligands...
February 18, 2019: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://read.qxmd.com/read/30781674/yifei-tongluo-a-chinese-herbal-formula-suppresses-tumor-growth-and-metastasis-and-exerts-immunomodulatory-effect-in-lewis-lung-carcinoma-mice
#4
Qiuchen Qi, Yanhong Hou, Ang Li, Yueyue Sun, Siying Li, Zhongxi Zhao
This study was aimed to investigate the anti-tumor, anti-metastasis and immunomodulatory effects of Yifei Tongluo (YFTL), a Chinese herbal formula, in Lewis lung carcinoma mice and to explore the underlying mechanisms. LLC cells were inoculated subcutaneously in C57BL/6 mice to establish the Lewis lung carcinoma model. We observed that YFTL effectively inhibited tumor growth and prolonged the overall survival of tumor-bearing mice. Additionally, YFTL treatment resulted in a significantly decreased number of surface lung metastatic lesions compared with the model control group...
February 18, 2019: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://read.qxmd.com/read/30781671/potential-of-zerumbone-as-an-anti-cancer-agent
#5
REVIEW
Sosmitha Girisa, Bano Shabnam, Javadi Monisha, Lu Fan, Clarissa Esmeralda Halim, Frank Arfuso, Kwang Seok Ahn, Gautam Sethi, Ajaikumar B Kunnumakkara
Cancer is still a major risk factor to public health globally, causing approximately 9.8 million deaths worldwide in 2018. Despite advances in conventional treatment modalities for cancer treatment, there are still few effective therapies available due to the lack of selectivity, adverse side effects, non-specific toxicities, and tumour recurrence. Therefore, there is an immediate need for essential alternative therapeutics, which can prove to be beneficial and safe against cancer. Various phytochemicals from natural sources have been found to exhibit beneficial medicinal properties against various human diseases...
February 18, 2019: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://read.qxmd.com/read/30781661/review-of-ethnomedicinal-phytochemical-and-pharmacological-properties-of-lannea-schweinfurthii-engl-engl
#6
REVIEW
Alfred Maroyi
Lannea schweinfurthii is a valuable medicinal plant species among different ethnic groups in tropical Africa. The aim of the current study was to review existing literature on the ethnomedicinal uses, phytochemistry and pharmacological properties of L. schweinfurthii in an effort to evaluate the therapeutic potential of the species. The relevant information on the ethnomedicinal uses, phytochemistry and pharmacological properties of L. schweinfurthii was generated from several sources including books, book chapters, theses, scientific reports and journal articles obtained from the library and internet sources such as SciFinder, Wiley, Web of Science, American Chemical Society publications, PubMed, BMC, Elsevier, Science Direct, Scielo and Scopus...
February 18, 2019: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://read.qxmd.com/read/30781643/correlated-electronic-properties-of-a-graphene-nanoflake-coronene
#7
Suryoday Prodhan, Sumit Mazumdar, S Ramasesha
We report studies of the correlated excited states of coronene and substituted coronene within the Pariser⁻Parr⁻Pople (PPP) correlated π -electron model employing the symmetry-adapted density matrix renormalization group technique. These polynuclear aromatic hydrocarbons can be considered as graphene nanoflakes. We review their electronic structures utilizing a new symmetry adaptation scheme that exploits electron-hole symmetry, spin-inversion symmetry, and end-to-end interchange symmetry. The study of the electronic structures sheds light on the electron correlation effects in these finite-size graphene analogues, which diminishes going from one-dimensional to higher-dimensional systems, yet is significant within these finite graphene derivatives...
February 18, 2019: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://read.qxmd.com/read/30781621/ingredients-in-zijuan-pu-er-tea-extract-alleviate-%C3%AE-amyloid-peptide-toxicity-in-a-caenorhabditis-elegans-model-of-alzheimer-s-disease-likely-through-daf-16
#8
Fangzhou Du, Lin Zhou, Yan Jiao, Shuju Bai, Lu Wang, Junfeng Ma, Xueqi Fu
Amyloid-β, one of the hallmarks of Alzheimer's disease (AD), is toxic to neurons and can also cause brain cell death. Oxidative stress is known to play an important role in AD, and there is strong evidence that oxidative stress is associated with amyloid-β. In the present study we report the protective effect of Zijuan Pu'er tea water extract (ZTWE) and the mixture of main ingredients (+)-catechins, caffeine and procyanidin (MCCP) in ZTWE on β-amyloid-induced toxicity in transgenic Caenorhabditis elegans ( C...
February 18, 2019: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://read.qxmd.com/read/30781606/a-novel-dantrolene-sodium-loaded-mixed-micelle-containing-a-small-amount-of-cremophor-el-characterization-stability-safety-and-pharmacokinetics
#9
Wenzhen Jin, Xiaochuan Tan, Jin Wen, Ya Meng, Yujia Zhang, He Li, Dong Jiang, Hui Song, Wensheng Zheng
Dantrolene sodium (DS) is the only drug specifically used for the treatment of malignant hyperthermia. Nevertheless, its clinical application is significantly restricted due to its aqueous insolubility and the limited formulations available in clinical practice. In order to solve these problems, a novel mixed micelle composed of phospholipid and Cremophor EL was designed and evaluated. The mixed micelle was prepared using a stirring- ultrasonic method. The Dynamic Light Scattering (DLS) results showed that the micelle was small in size (12...
February 18, 2019: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://read.qxmd.com/read/30781596/physicochemical-properties-and-cellular-uptake-of-astaxanthin-loaded-emulsions
#10
Xue Shen, Tianqi Fang, Jian Zheng, Mingruo Guo
Astaxanthin, a natural pigment carotenoid, is well known for its potential benefits to human health. However, its applications in the food industry are limited, due to its poor water-solubility and chemical instability. Six different emulsifiers were used to prepare astaxanthin-loaded emulsions, including whey protein isolate (WPI), polymerized whey protein (PWP), WPI-lecithin, PWP-lecithin, lecithin, and Tween20. The droplet size, zeta potential, storage stability, cytotoxicity, and astaxanthin uptake by Caco-2 cells were all investigated...
February 18, 2019: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://read.qxmd.com/read/30781594/metal-free-alpha-trifluoromethylselenolation-of-carbonyl-derivatives-under-batch-and-flow-conditions
#11
Elisabetta Massolo, Margherita Pirola, Sergio Rossi, Tiziana Benincori
Trifluoromethylselenolated carbonyl compounds represent an emerging class with potential applications in several fields; however, a widespread use of such compound is hampered by the very limited number of strategies for their preparation. In this study we developed a method for the preparation of α-SeCF₃ substituted carbonyl derivatives using an in situ generated electrophilic ClSeCF₃ species. We also implemented an in-flow protocol to improve the safety features of the process.
February 18, 2019: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://read.qxmd.com/read/30781592/antihyperlipidemic-effect-identification-and-isolation-of-the-lipophilic-components-from-artemisia-integrifolia
#12
Yanhua Xu, Qinghu Wang, Wenqiang Bao, Biligetu Pa
Artemisia integrifolia L (Compositae) is a medicinal and edible plant. To investigate its antihyperlipidemic effect, a crude lipophilic extract and the composing compounds were isolated and fractioned from the petroleum ether extract of aerial parts of A. integrifolia using column chromatography on silica gel. The anti-hyperlipidemia effect was studied in a rat model of acute hyperlipidemia, which was induced by triton WR-1339. A new compound, integrinol ( 4 ), together with nine known compounds, namely chamazulene ( 1 ), acetylenes (E)-2 ( 2 ), acetylenes (E)-3 ( 3 ), eugenol ( 5 ), palmitic acid ( 6 ), oleic acid ( 7 ), linoleic acid ( 8 ), linolenic acid ( 9 ) and 12,13-epoxylinolenic acid were isolated from the crude lipophilic extract of A...
February 17, 2019: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://read.qxmd.com/read/30781579/preparation-and-characterization-of-tio%C3%A2-pvdf-pmma-blend-membranes-using-an-alternative-non-toxic-solvent-for-uf-mf-and-photocatalytic-application
#13
Ouassila Benhabiles, Francesco Galiano, Tiziana Marino, Hacene Mahmoudi, Hakim Lounici, Alberto Figoli
The approach of the present work is based on the use of poly (methylmethacrylate) (PMMA) polymer, which is compatible with PVDF and TiO₂ nanoparticles in casting solutions, for the preparation of nano-composites membranes using a safer and more compatible solvent. TiO₂ embedded poly (vinylidene fluoride) (PVDF)/PMMA photocatalytic membranes were prepared by phase inversion method. A non-solvent induced phase separation (NIPS) coupled with vapor induced phase separation (VIPS) was used to fabricate flat-sheet membranes using a dope solution consisting of PMMA, PVDF, TiO₂, and triethyl phosphate (TEP) as an alternative non-toxic solvent...
February 17, 2019: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://read.qxmd.com/read/30781578/microparticles-of-lamivudine-poly-%C3%AE%C2%B5-caprolactone-conjugate-for-drug-delivery-via-internalization-by-macrophages
#14
Tomasz Urbaniak, Daniela Machová, Olga Janoušková, Witold Musiał
The past decade may be considered as revolutionary in the research field focused on the physiological function of macrophages. Unknown subtypes of these cells involved in pathological mechanisms were described recently, and they are considered as potential drug delivery targets. The innate ability to internalize foreign bodies exhibited by macrophages can be employed as a therapeutic strategy. The efficiency of this uptake depends on the size, shape and surface physiochemical properties of the phagocyted objects...
February 17, 2019: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://read.qxmd.com/read/30781573/molecular-docking-studies-of-coumarins-isolated-from-extracts-and-essential-oils-of-zosima-absinthifolia-link-as-potential-inhibitors-for-alzheimer-s-disease
#15
Songul Karakaya, Mehmet Koca, Serdar Volkan Yılmaz, Kadir Yıldırım, Nur Münevver Pınar, Betül Demirci, Marian Brestic, Oksana Sytar
Coumarins and essential oils are the major components of the Apiaceae family and the Zosima genus. The present study reports anticholinesterase and antioxidant activities of extracts and essential oils from aerial parts, roots, flowers, fruits and coumarins-bergapten ( 1 ); imperatorin ( 2 ), pimpinellin ( 3 ) and umbelliferone ( 4 )-isolated of the roots from Zosima absinthifolia . The investigation by light and scanning electron microscopy of the structures of secretory canals found different chemical compositions in the various types of secretory canals which present in the aerial parts, fruits and flowers...
February 17, 2019: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://read.qxmd.com/read/30781572/amylase-and-xylanase-from-edible-fungus-neurospora-intermedia-production-and-characterization
#16
Zohre Shahryari, Mohammad H Fazaelipoor, Younes Ghasemi, Patrik R Lennartsson, Mohammad J Taherzadeh
Integrated enzyme production in the biorefinery can significantly reduce the cost of the entire process. The purpose of the present study is to evaluate the production of two hydrolyzing enzymes (amylase and xylanase) by an edible fungus used in the biorefinery, Neurospora intermedia . The enzyme production was explored through submerged fermentation of synthetic media and a wheat-based waste stream (thin stillage and wheat bran). The influence of a nitrogen source on N. intermedia was investigated and a combination of NaNO₃ and yeast extract has been identified as the best nitrogen source for extracellular enzyme production...
February 17, 2019: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://read.qxmd.com/read/30781558/echinacoside-isolated-from-cistanche-tubulosa-putatively-stimulates-growth-hormone-secretion-via-activation-of-the-ghrelin-receptor
#17
Chieh-Ju Wu, Mei-Yin Chien, Nan-Hei Lin, Yi-Chiao Lin, Wen-Ying Chen, Chao-Hsiang Chen, Jason T C Tzen
Cistanche species, the ginseng of the desert, has been recorded to possess many biological activities in traditional Chinese pharmacopoeia and has been used as an anti-aging medicine. Three phenylethanoid glycosides-echinacoside, tubuloside A, and acteoside-were detected in the water extract of Cistanche tubulosa (Schenk) R. Wight and the major constituent, echinacoside, was further purified. Echinacoside of a concentration higher than 10-6 M displayed significant activity to stimulate growth hormone secretion of rat pituitary cells...
February 17, 2019: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://read.qxmd.com/read/30781541/rapid-green-synthesis-and-characterization-of-silver-nanoparticles-arbitrated-by-curcumin-in-an-alkaline-medium
#18
Muhammad Jamshed Khan, Kamyar Shameli, Awis Qurni Sazili, Jinap Selamat, Suriya Kumari
Green synthesis of silver nanoparticles is desirable practice. It is not only the required technique for industrial and biomedical purposes but also a promising research area. The aim of this study was to synthesize green curcumin silver nanoparticles (C-Ag NPs). The synthesis of C-Ag NPs was achieved by reduction of the silver nitrate (AgNO₃) in an alkaline medium. The characterizations of the prepared samples were conducted by ultraviolet visible (UV-vis) spectroscopy, powder X-ray diffraction (PXRD), field emission scanning electron microscopy (FESEM), high-resolution transmission electron microscopy (HRTEM), selected area electron diffraction (SAED) and zeta potential (ZP) analyses...
February 16, 2019: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://read.qxmd.com/read/30781526/acylated-flavonoid-glycosides-are-the-main-pigments-that-determine-the-flower-colour-of-the-brazilian-native-tree-tibouchina-pulchra-cham-cogn
#19
Fernanda Mendes Rezende, Marcelo José Pena Ferreira, Mads Hartvig Clausen, Magdalena Rossi, Claudia Maria Furlan
Tibouchina pulchra (Cham.) Cogn. is a plant native to Brazil whose genus and family (Melastomataceae) are poorly studied with regards to its metabolite profile. Phenolic pigments of pink flowers were studied by ultra-performance liquid chromatography with a photodiode array detector and electrospray ionization quadrupole time-of-flight mass spectrometry. Therein, twenty-three flavonoids were identified with eight flavonols isolated by preparative high-performance liquid chromatography and analysed by one- and two-dimensional nuclear magnetic resonance...
February 16, 2019: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://read.qxmd.com/read/30781495/analysis-of-metabolite-accumulation-related-to-pod-color-variation-of-caragana-intermedia
#20
Feiyun Yang, Tianrui Yang, Kun Liu, Qi Yang, Yongqing Wan, Ruigang Wang, Guojing Li
Caragana intermedia , a leguminous shrub widely distributed in cold and arid regions, is rich in secondary metabolites and natural active substances, with high nutritional and medical values. It is interesting that the pods of C. intermedia often show different colors among individual plants. In this study, 10-, 20- and 30-day-old red and green pods of C. intermedia were used to identify and characterize important metabolites associated with pod color. A total 557 metabolites, which could be classified into 21 groups, were detected in the pod extracts using liquid chromatography coupled with ESI-triple quadrupole-linear ion trap mass spectrometer (LC-ESI-MS/MS)...
February 16, 2019: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
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