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81.
Philip E. Thompson David T. Manallack Frank E. Blaney Timothy Gallagher 《Journal of computer-aided molecular design》1992,6(3):287-298
Summary Anatoxin-a (AnTX) is a highly potent agonist acting at the nicotinic acetylcholine receptor (nAChR) and represents a valuable tool in the study of this receptor. Molecular mechanics, semi-empirical and ab initio molecular orbital energy minimization procedures were conducted to investigate the conformation of AnTX. For each minimization procedure, the s-trans enone isomer of protonated AnTX was the energetically favoured conformer due to intramolecular electrostatic interactions. Our studies are discussed in the light of previous experimental observations and conformational studies, in addition to their importance in the development of future pharmacophore models for nAChR agonist binding. 相似文献
82.
83.
A novel mixed-ligand complex of [In(Me-phen)Cl3(DMSO)] (1) was acquired and specified via spectral approaches (IR, UV–Vis, 1H-NMR, and luminescence), thermal evaluation such as thermogravimetric, differential thermal analyses, and single-crystal X-ray diffraction. In this study, we have also reported the nanosize of [In(Me-phen)Cl3(DMSO)] (1) that has been synthesized via the sonochemical process. Characterization of nanoparticle (1) was carried out via X-ray powder diffraction, scanning electron microscopy, and Fourier transform infrared spectroscopy. The sample size assembled via the sonochemical approach was approximately 20 nm. Also, a novel screen-printed electrode modified with indium nanocomplex (In NC/SPE) was developed. An electrochemical examination of the adjusted electrode in addition to its efficiency in dopamine electro-oxidation is explained. It was proven that dopamine oxidation at adjusted electrode surface takes place at 150 mV potential less positive compared to an unadjusted screen-printed electrode. The relevant detection limit for dopamine was 2.0 × 10−7 M via differential pulse voltammetry. Moreover, the adjusted electrode was utilized to simultaneously determine dopamine and acetylcholine. Lastly, the adjusted electrode was utilized to determine dopamine and acetylcholine within real specimens. 相似文献
84.
85.
Yoshiharu Uruno Akio Tanaka Kazuki Hashimoto Shinya Usui Yasunao Inoue Yasuko Konishi Atsushi Suwa Kentaro Takai Wataru Katoda Norio Fujiwara Takaaki Sumiyoshi 《Tetrahedron》2013
N,N-Dimethylcarbamoylation of the anilinic nitrogen atom N(1) on the spiro 7-azaindoline consists of two steps. The first step is N,N-dimethylcarbamoylation of the pyridyl nitrogen atom N(7), leading to the formation of an isolable intermediate. The second step is intermolecular migration of the N,N-dimethylcarbamoyl group from the pyridyl nitrogen atom N(7) to the anilinic nitrogen atom N(1). We accomplished optimization of the reaction conditions based on the revealed reaction mechanism and a large scale synthesis of compound 3 in quantitative yield. 相似文献
86.
Intermolecular forces between acetylcholine and acetylcholinesterases studied with atomic force microscopy 总被引:3,自引:0,他引:3
With the aid of atomic force microscopy, the intermolecular forces between acetyleholinesterases (AChE) and its natural substrate acetylcholine (ACh) have been studied. Through force spectrum measurement based on imaging of AChE molecules it was found that the attraction force between individual molecule pairs of ACh and AChE was (10±1) pN just before the quaternary ammonium head of ACh got into contact with the negative end of AChE and the decaying distance of attraction was (4±1) nm from the surface of ACHE. The adhesion force between individual ACh and AChE molecule pairs was (25±2) pN, which had a decaying feature of fast-slow-fast (FSF). The attraction forces between AChE and choline (Ch), the quaternary ammonium moiety and hydrolysate of ACh molecule, were similar to those between AChE and ACh. The adhesion forces between AChE and Ch were (20±2) pN, a little weaker than that between ACh and ACHE. These results indicated that AChE had a steering role for the diffusion of ACh toward it and had r 相似文献
87.
SDS抑制乙酰胆碱酯酶反应的热动力学研究 总被引:2,自引:0,他引:2
在37 ℃, pH=7.4的Tris-HCl缓冲体系中, 利用热焓放大技术和热动力学初始速率法研究了近生理条件下的乙酰胆碱酯酶(AchE)催化溴化乙酰胆碱水解反应及十二烷基硫酸钠(SDS)对反应的抑制动力学. 通过测量实验条件下反应体系的总反应焓及相同条件下的Tris碱的质子化焓, 确定了酶反应的摩尔反应焓ΔHm,1为0.63 kJ•mol-1, 米氏常数Km和底物抑制常数KS分别为0.85~0.94 mmol•L-1和0.74~0.83 mmol•L-1. SDS能够显著地降低反应速率, 但对酶反应的生化常数的影响较小, SDS对AchE的抑制表现为不可逆抑制. 在一定浓度的SDS溶液中, AchE的失活符合一级反应动力学规律, 表观一级失活速率常数与作用时间及SDS浓度的四次方呈线性关系, 失活常数为(2.47~2.69)×1013 mol-4•L4•min-1. 相似文献
88.
Manuel Delgado-Vlez Orestes Quesada Juan C. Villalobos-Santos Rafael Maldonado-Hernndez Guillermo Asmar-Rovira Raymond C. Stevens Jos Antonio Lasalde-Dominicci 《Molecules (Basel, Switzerland)》2021,26(19)
Since their discovery, nicotinic acetylcholine receptors (nAChRs) have been extensively studied to understand their function, as well as the consequence of alterations leading to disease states. Importantly, these receptors represent pharmacological targets to treat a number of neurological and neurodegenerative disorders. Nevertheless, their therapeutic value has been limited by the absence of high-resolution structures that allow for the design of more specific and effective drugs. This article offers a comprehensive review of five decades of research pursuing high-resolution structures of nAChRs. We provide a historical perspective, from initial structural studies to the most recent X-ray and cryogenic electron microscopy (Cryo-EM) nAChR structures. We also discuss the most relevant structural features that emerged from these studies, as well as perspectives in the field. 相似文献
89.
The cholinergic interneurons of the striatum account for a small fraction of all striatal cell types but due to their extensive axonal arborization give the striatum the highest content of acetylcholine of almost any nucleus in the brain. The prevailing theory of striatal cholinergic interneuron signaling is that the numerous varicosities on the axon produce an extrasynaptic, volume-transmitted signal rather than mediating rapid point-to-point synaptic transmission. We review the evidence for this theory and use a mathematical model to integrate the measurements reported in the literature, from which we estimate the temporospatial distribution of acetylcholine after release from a synaptic vesicle and from multiple vesicles during tonic firing and pauses. Our calculations, together with recent data from genetically encoded sensors, indicate that the temporospatial distribution of acetylcholine is both short-range and short-lived, and dominated by diffusion. These considerations suggest that acetylcholine signaling by cholinergic interneurons is consistent with point-to-point transmission within a steep concentration gradient, marked by transient peaks of acetylcholine concentration adjacent to release sites, with potential for faithful transmission of spike timing, both bursts and pauses, to the postsynaptic cell. Release from multiple sites at greater distance contributes to the ambient concentration without interference with the short-range signaling. We indicate several missing pieces of evidence that are needed for a better understanding of the nature of synaptic transmission by the cholinergic interneurons of the striatum. 相似文献
90.
As a main source for the recognition and identification of lead compounds, traditional Chinese medicine plays a pivotal role in preventing diseases for years. However, screening bioactive compounds from traditional Chinese medicine remains challenging because of the complexity of the systems and the occurrence of the synergic effect of the compounds. The infructescence of Platycarya strobilacea Sieb. et Zucc is prescribed for allergic rhinitis treatment with unknown bioactive compounds and unclear mechanisms. Herein, we immobilized the β2-adrenoceptor and muscarine-3 acetylcholine receptor onto the silica gel surface to prepare the stationary phase in a covalent bond through one step. The feasibility of the columns was investigated by the chromatographic method. Ellagic acid and catechin were identified as the bioactive compounds targeting the receptors. The binding constants of ellagic acid were calculated to be (1.56 ± 0.23)×107 M−1 for muscarine-3 acetylcholine receptor and (2.93 ± 0.15)×107 M−1 for β2-adrenoceptor by frontal analysis. While catechin can bind with muscarine-3 acetylcholine receptor with an affinity of (3.21 ± 0.05)×105 M−1. Hydrogen bonds and van der Waals’ force were the main driving forces for the two compounds with the receptors. The established method provides an alternative for multi-target bioactive compound screening in complex matrices. 相似文献