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31.
Ganoderma mushrooms are widely used as effective medicines for treating and preventing chronic diseases. In this study, five new meroterpenoids, dayaolingzhiols A (1) and B (2) featuring a 6/6/6 ring system, dayaolingzhiols C?E (3–5) harboring a γ-lactone motif, along with eight known ones (6–13), were purified from G. lucidum. To clarify their chemical structures, spectroscopic and ECD and OR computational methods were used. In addition, the inhibition of all the new meroterpenoids against AChE was evaluated, disclosing that (+)-4 and (±)-5 possess potent AChE inhibitory activities with respective IC50 values of 8.52?±?1.90?μM and 7.37?±?0.52?μM. 相似文献
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Cross-target effect has been one of the major mechanisms of drug toxicity, this has necessitated the design of inhibitors that are specifically tailored to target particular biomolecules. 6-(2,4-difluorophenoxy)-5-((ethylmethyl)pyridine-3-yl)-8-methylpyrrolo[1,2-a] pyrazin-1(2H)-one (Cpd38) is an inhibitor possessing high inhibition rate and tailored specificity towards bromodomain-containing protein 4 (BRD4). In this research, we used an array of computational techniques to provide insight at the atomistic level the specific targeting of BRD4 by Cpd38 relative to the binding of Cpd38 with E1A binding protein P300 (EP300); another bromodomain-containing protein (BCP). Comparatively, binding of Cpd38 improved the conformational stability and compactness of BRD4 protein when compared to the Cpd38 bound EP300. Also, Cpd38 induced a conformational change in the active site of BRD4 that facilitated a complementary pose between Cpd38 and BRD4 suitable for effective atomistic interactions. Expectedly, thermodynamic calculations revealed that the Cpd38-BRD4 system had higher binding energy (−36.11 Kcal/mol) than the Cpd38-EP300 system with a free binding energy of −15.86 Kcal/mol. Noteworthy is the opposing role Trp81 (acting as hydrogen bond acceptor) and Pro1074 (acting as hydrogen bond donor) found on the WPF and LPF loops respectively play in maintaining Cpd38 stability. Furthermore, the hydrogen bond acceptor/donator ratio was approximately 4:1 in Cpd38-BRD4 system compared with 2:1 in Cpd38-EP300 system. Taken together, atomistic insights and structural perspectives detailed in this report supplements the experimental report supporting the improved selectivity of Cpd38 for BRD4 ahead of other BCPs while providing leeway for the future design of BET selective agents with better pharmacological profile. 相似文献
34.
As a prominent member of the vitamin E group, α-tocopherol is an important lipophilic antioxidant. It has a special oxidation chemistry that involves phenoxyl radicals, quinones and quinone methides. During the oxidation to the ortho-quinone methide, an intermediary zwitterion is formed. This aromatic intermediate turns into the quinone methide by simply rotating the initially oxidized, exocyclic methyl group into the molecule's plane. This initial zwitterionic intermediate and the quinone methide are not resonance structures but individual species, whose distinct electronic structures are separated by a mere 90° bond rotation. In this work, we hindered this crucial rotation, by substituting the affected methyl group with alkyl or phenyl groups. The alkyl groups slowed down the conversion to the quinone methide by 18-times, while the phenyl substituents, which additionally stabilize the zwitterion electronically, completely halted the conversion to the quinone methide at −78 °C, allowing for the first time the direct observation of a tocopherol-derived zwitterion. Employing a 13C-labeled model, the individual steps of the oxidation sequence could be observed directly by NMR, and the activation energy for the rotation could be estimated to be approximately 2.8 kcal/mol. Reaction rates were solvent dependent, with polar solvents exerting a stabilizing effect on the zwitterion. The observed effects confirmed the central relevance of the rotation step in the change from the aromatic to the quinoid state and allowed a more detailed examination of the oxidation behavior of tocopherol. The concept that a simple bond rotation can be used to switch between an aromatic and an anti-aromatic structure could find its use in molecular switches or molecular engines, driven by the specific absorption of external energy. 相似文献
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James H. Schmerl 《Mathematical Logic Quarterly》2014,60(1-2):12-20
We investigate some properties of ordered structures that are related to their having cofinal elementary extensions. Special attention is paid to models of some very weak fragments of Peano Arithmetic. 相似文献
37.
We consider second order linear degenerate elliptic operators which are elliptic with respect to horizontal directions generating a stratified algebra of H-type. Extending a result by Gutiérrez and Tournier (2011) for the Heisenberg group, we prove a critical density estimate by assuming a condition of Cordes–Landis type. We then deduce an invariant Harnack inequality for the non-negative solutions from a result by Di Fazio, Gutiérrez, and Lanconelli (2008). 相似文献
38.
Simple in‐house flow‐injection capillary electrophoresis with capacitively coupled contactless conductivity method for the determination of colistin 下载免费PDF全文
Patcharin Chaisuwan Thararat Moonta Areeporn Sangcakul Duangjai Nacapricha Prapin Wilairat Kanchana Uraisin 《Journal of separation science》2015,38(6):1035-1041
An in‐house flow‐injection capillary electrophoresis with capacitively coupled contactless conductivity detection method was developed for the direct measurement of colistin in pharmaceutical samples. The flow injection and capillary electrophoresis systems are connected by an acrylic interface. Capillary electrophoresis separation is achieved within 2 min using a background electrolyte solution of 5 mM 2‐morpholinoethanesulfonic acid and 5 mM histidine (pH 6). The flow‐injection section allows for convenient filling of the capillary and sample introduction without the use of a pressure/vacuum manifold. Capacitively coupled contactless conductivity detection is employed since colistin has no chromophore but is cationic at pH 6. Calibration curve is linear from 20 to 150 mg/L, with a correlation coefficient (r2) of 0.997. The limit of quantitation is 20 mg/L. The developed method provides precision, simplicity, and short analysis time. 相似文献
39.
We solve the isomorphism problem in the context of abstract algebraic logic and of π-institutions, namely the problem of when the notions of syntactic and semantic equivalence among logics coincide. The problem is solved in the general setting of categories of modules over quantaloids. We introduce closure operators on modules over quantaloids and their associated morphisms. We show that, up to isomorphism, epis are morphisms associated with closure operators. The notions of (semi-)interpretability and (semi-)representability are introduced and studied. We introduce cyclic modules, and provide a characterization for cyclic projective modules as those having a g-variable. Finally, we explain how every π-institution induces a module over a quantaloid, and thus the theory of modules over quantaloids can be considered as an abstraction of the theory of π-institutions. 相似文献
40.
Hui-Xiang Chen Hassen Suleman Esmael Mohammed Hua Sun 《Journal of Pure and Applied Algebra》2017,221(11):2752-2790
In this paper, we study the tensor product structure of the category of finite dimensional modules over Drinfeld doubles of Taft Hopf algebras. Tensor product decomposition rules for all finite dimensional indecomposable modules are explicitly given. 相似文献