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DFT calculations have been carried out to describe the pathway of a sodium ion along the stacking direction of a tubular structure set up by five cyclopeptidic units, which can be considered a suitable model of a hollow tubular structure of indefinite length. A lattice of points inside the tubular structure is defined and the DFT interaction energy values with a sodium ion are obtained. The data allow predicting a zigzag path of the ion inside the hosting structure. 相似文献
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Joelle Mesmar Rola Abdallah Adnan Badran Marc Maresca Abdullah Shaito Elias Baydoun 《Molecules (Basel, Switzerland)》2022,27(13)
Ziziphus nummularia, a small bush of the Rhamnaceae family, has been widely used in traditional folk medicine, is rich in bioactive molecules, and has many reported pharmacological and therapeutic properties. Objective: To gather the current knowledge related to the medicinal characteristics of Z. nummularia. Specifically, its phytochemical contents and pharmacological activities in the treatment of various diseases such as cancer, diabetes, and cardiovascular diseases, are discussed. Methods: Major scientific literature databases, including PubMed, Scopus, ScienceDirect, SciFinder, Chemical Abstracts, Medicinal and Aromatic Plants Abstracts, Henriette’s Herbal Homepage, Dr. Duke’s Phytochemical and Ethnobotanical Databases, were searched to retrieve articles related to the review subject. General web searches using Google and Google scholar were also utilized. The search period covered articles published between 1980 and the end of October 2021.The search used the keywords ‘Ziziphus nummularia’, AND (‘phytochemical content’, ‘pharmacological properties, or activities, or effects, or roles’, ‘anti-inflammatory’, ‘anti-drought’, ‘anti-thermal’, ‘anthelmintic’, ‘antidiabetic’,’ anticancer’, ‘anticholinesterase’, ‘antimicrobial’, ‘sedative’, ‘antipyretic’, ‘analgesic’, or ‘gastrointestinal’). Results: This plant is rich in characteristic alkaloids, especially cyclopeptide alkaloids such as nummularine-M. Other phytochemicals, including flavonoids, saponins, glycosides, tannins, and phenolic compounds, are also present. These phytochemicals are responsible for the reported pharmacological properties of Z. nummularia, including anti-inflammatory, antioxidant, antimicrobial, anthelmintic, antidiabetic, anticancer, analgesic, and gastrointestinal activities. In addition, Z. nummularia has anti-drought and anti-thermal characteristics. Conclusion: Research into the phytochemical and pharmacological properties of Z. nummularia has demonstrated that this plant is a rich source of novel bioactive compounds. So far, Z. nummularia has shown a varied pharmacological profile (antioxidant, anticancer, anti-inflammatory, and cardioprotective), warranting further research to uncover the therapeutic potential of the bioactives of this plant. Taken together, Z. nummularia may represent a new potential target for the discovery of new drug leads. 相似文献
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A synthesis of new cyclopeptides is reported via Mannich condensation on solid support with a simple work-up procedure and very good yields. 相似文献
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Qing Feng JIANG You Jun ZHOU Jian Zhong YAO Jia Guo LU Ju ZHU Chun Quan SHENG Can Hui ZHENG Bing YAO 《中国化学快报》2006,17(8):995-998
Since George R. Pettit’s group isolated cycloheptapeptide phakellistatin 1 from sponge1, over ten similar cyclic peptides have been obtained2-5. Phakellistatin 134 (Figure 1) is a cycloheptapeptide isolated from the brown snubby sponge from the South Chi… 相似文献
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A New Cyclopeptide from Brachystemma calycinum 总被引:1,自引:0,他引:1
Bracl(Islen1)naca{l'cin!tnID.Donisafolkmedicineusedforrheumatism.Weinvestigat--editandisolatedanewminorcyclopeptidebrachysteminAl,togetherwiththreeknownheterocyclesL-pyroglutamicacid2,2-minaline3and3'-furfuryl-pyrrole-2-carboxylate41.ThestructureelucidationoflwasmadebylDand2DNMRtechniques.BrachysteminAl,wasnegativetoninhydrinreagentbutpositiveafterhydroIysiswith6mol/LHCl2.Themolecularforn1uIaC,,H,'O,N,wasderivedfromtheHR-FABMS([M H] atIn/z755.4o73,Calc.forI)l/:755.4o92).lRbandsat… 相似文献
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Ivan Petters Matija Modruan Nikolina Vidovi Ivo Crnolatac Nikola Cindro Ivo Piantanida Giovanna Speranza Gordan Horvat Vladislav Tomii 《Molecules (Basel, Switzerland)》2022,27(12)
Cyclic pentaphenylalanine was studied as an efficient anion sensor for halides, thiocyanate and oxoanions in acetonitrile and methanol. Stability constants of the corresponding complexes were determined by means of fluorimetric, spectrophotometric, 1H NMR, and microcalorimetric titrations. A detailed structural overview of receptor–anion complexes was obtained by classical molecular dynamics (MD) simulations. The results of 1H NMR and MD studies indicated that the bound anions were coordinated by the amide groups of cyclopeptide, as expected. Circular dichroism (CD) titrations were also carried out in acetonitrile. To the best of our knowledge, this is the first example of the detection of anion binding by cyclopeptide using CD spectroscopy. The CD spectra were calculated from the structures obtained by MD simulations and were qualitatively in agreement with the experimental data. The stoichiometry of almost all complexes was 1:1 (receptor:anion), except for dihydrogen phosphate where the binding of dihydrogen phosphate dimer was observed in acetonitrile. The affinity of the cyclopeptide receptor was correlated with the structure of anion coordination sphere, as well as with the solvation properties of the examined solvents. 相似文献
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Ai Qun JIA Ning Hua TAN Jun ZHOU 《中国化学快报》2006,17(4):477-480
New minor cyclic peptides, named arenariphilin C 1 and arenariphilin D 2, were isolated from the whole plants of Arenaria oreophila (Caryophyllaceae). Their structures were determined as cyclo(Pro1-Pro2-Leu1-Leu2-Phe-Ser-Gly-Thr) and cyclo (Ser-Cys) on the basis of spectroscopic data, especially by two-dimension NMR (2D NMR) technologies. 相似文献
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