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1.
Preparations, XPS and electronic spectroscopy, and magnetism of seven new one-dimensional cyano-bridged coordination polymers, chiral [Cu(RR-chxn)2][Pd(CN)4] · 2H2O (1), [Cu(trans-chxn)2][M(CN)4] · 2H2O (2, 4, and 6 for M = Pd, Ni, and Pt), and [Cu(cis-chxn)2][M(CN)4] · 2H2O (3, 5, and 7 for M = Pd, Ni, and Pt) (RR-chxn = cyclohexane-(1R,2R)-diamine, trans-chxn = racemic trans-cyclohexane-(1,2)-diamine, and cis-chxn = racemic cis-cyclohexane-(1,2)-diamine) have been reported in view of tuning of their electronic properties by stereochemistry of chxn ligands and metal-substitution. Comparison of Cu 2p1/2 and 2p3/2 peaks of XPS and broad d-d bands around 18 000 cm−1 of electronic spectra are described systematically for 1-7. Variable-temperature magnetic measurement shows that complexes 1-7 indicate weak antiferromagnetic interactions via cyano-bridges. Because of semi-coordination coupled with pseudo Jahn-Teller elongation and electrostatic interaction for 1, the axial Cu-N coordination bond distances of 2.330(7) and 3.092(8) Å are considerably longer than those of equatorial ones in the range from 2.016(6) to 2.030(6) Å. The former bond distances of 1 are intermediate values among the related Ni (2.324(6) and 3.120(8) Å) and Pt (2.34(1) and 3.09(1) Å) complexes. 相似文献
2.
Over the past 10 years, Ghusel VDC, Lalitpur District has moved from primarily subsistence agriculture into the wider cash economy aided by the Small Farmers' Development Program (SFDP), which provides credit to farmers mainly for the purchase of buffalo for milk production, and by the National Dairy Corporation, which supports local dairy cooperatives. Analysis reveals that buffalo-keeping and milk sales are increasing the well-being of many households, while at the same time creating new inequalities in gender roles and responsibilities, greater inequities between Brahmin and Tamang residents in Ghusel, and placing pressures on the ecosystem for increased supplies of fodder and fuelwood. Evidence suggests that there is critical, need for attention to the social, and particularly gender-based, implications of maintaining livestock for milk sales and to the ecological underpinnings of this livelihood system. 相似文献
3.
Structure and function of S-adenosylhomocysteine hydrolase 总被引:6,自引:0,他引:6
Turner MA Yang X Yin D Kuczera K Borchardt RT Howell PL 《Cell biochemistry and biophysics》2000,33(2):101-125
In mammals, S-adenosylhomocysteine hydrolase (AdoHcyase) is the only known enzyme to catalyze the breakdown of S-adenosylhomocysteine
(AdoHcy) to homocysteine and adenosine. AdoHcy is the product of all adenosylmethionine (AdoMet)-dependent biological transmethylations.
These reactions have a wide range of products, and are common in all facets of biometabolism. As a product inhibitor, elevated
levels of AdoHcy suppress AdoMet-dependent transmethylations. Thus, AdoHcyase is a regulator of biological transmethylation
in general. The three-dimensional structure of AdoHcyase complexed with reduced nicotinamide adenine dinucleotide phosphate
(NADH) and the inhibitor (1′R, 2′S, 3′R)-9-(2′,3′-dihyroxycyclopenten-1-yl)adenine (DHCeA) was solved by a combination of
the crystallographic direct methods program, SnB, to determine the selenium atom substructure and by treating the multiwavelength anomalous diffraction data as a special
case of multiple isomorphous replacement. The enzyme architecture resembles that observed for NAD-dependent dehydrogenases,
with the catalytic domain and the cofactor binding domain each containing a modified Rossmann fold. The two domains form a
deep active site cleft containing the cofactor and bound inhibitor molecule. A comparison of the inhibitor complex of the
human enzyme and the structure of the rat enzyme, solved without inhibitor, suggests that a 17° rigid body movement of the
catalytic domain occurs upon inhibitor/substrate binding. 相似文献
4.
Chiral Separation of G‐type Chemical Warfare Nerve Agents via Analytical Supercritical Fluid Chromatography
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Shane A. Kasten Steven Zulli Jonathan L. Jones Thomas Dephillipo Douglas M. Cerasoli 《Chirality》2014,26(12):817-824
Chemical warfare nerve agents (CWNAs) are extremely toxic organophosphorus compounds that contain a chiral phosphorus center. Undirected synthesis of G‐type CWNAs produces stereoisomers of tabun, sarin, soman, and cyclosarin (GA, GB, GD, and GF, respectively). Analytical‐scale methods were developed using a supercritical fluid chromatography (SFC) system in tandem with a mass spectrometer for the separation, quantitation, and isolation of individual stereoisomers of GA, GB, GD, and GF. Screening various chiral stationary phases (CSPs) for the capacity to provide full baseline separation of the CWNAs revealed that a Regis WhelkO1 (SS) column was capable of separating the enantiomers of GA, GB, and GF, with elution of the P(+) enantiomer preceding elution of the corresponding P(–) enantiomer; two WhelkO1 (SS) columns had to be connected in series to achieve complete baseline resolution. The four diastereomers of GD were also resolved using two tandem WhelkO1 (SS) columns, with complete baseline separation of the two P(+) epimers. A single WhelkO1 (RR) column with inverse stereochemistry resulted in baseline separation of the GD P(–) epimers. The analytical methods described can be scaled to allow isolation of individual stereoisomers to assist in screening and development of countermeasures to organophosphorus nerve agents. Chirality 26:817–824, 2014. © 2014 The Authors. Chirality published by John Wiley Periodicals, Inc. 相似文献
5.
Błaszczyk I Grucka-Mamczar E Kasperczyk S Birkner E 《Biological trace element research》2008,121(1):51-59
The aim of the study has been to determine and compare the influence upon the kidney antioxidative system, exercised by administration
of vitamin E, and vitamin E in combination with methionine, under conditions of oxidative stress induced by sodium fluoride.
The experiment was carried out on Wistar FL rats (adult males) that, for 35 days, were administered water, NaF, NaF with vitamin
E, or vitamin E with methionine (doses: 10 mg NaF/kg of body mass/24 h, 3 mg vitamin E per 10 μl per rat for 24 h, 2 mg methionine
per rat for 24 h). The influence of administered sodium fluoride and antioxidants upon the antioxidative system in kidney
was examined by analyzing the concentration of malondialdehyde (MDA) and the activity of the most important antioxidative
enzymes (SOD, total and both its isoenzymes, GPX, GST, GR, and CAT). The studies carried out confirmed the disadvantageous
effect of the administered dose of NaF upon the antixodiative system in rats (increase in the concentration MDA, decrease
activity of all antioxidative enzymes). The administration of vitamin E increased the activity of studied enzymes with the
exception of glutathione reductase GR; it also reduced the procesess of lipid peroxidation. It has been found that combined
doses of vitamin E and methionine were most effective in inhibiting lipid peroxidation processes. The results confirmed the
antioxidative properties of methionine. 相似文献
6.
Auxin-mediated elongation growth of isolated subapical coleoptile segments of maize (Zea mays L.) is controlled by the extensibility of the outer cell wall of the outer epidermis (Kutschera et al., 1987). Here we investigate the hypothesis that auxin controls the extensibility of this wall by changing the orientation of newly deposited microfibrils through a corresponding change in the orientation of cortical microtubules. On the basis of electron micrographs it is shown that cessation of growth after removal of the endogenous source of auxin is correlated with a relative increase of longitudinally orientated microfibrils and microtubules at the inner wall surface. Conversely, reinduction of growth by exogenous auxin is correlated with a relative increase of transversely orientated microfibrils and microtubules at the inner wall surface. These changes can be detected 30–60 min after the removal and addition of auxin, respectively. The functional significance of directional changes of newly desposited wall microfibrils for the control of elongation growth is discussed. 相似文献
7.
C. Sao Emani M.J. Williams P.D. Van Helden M.J.C. Taylor I.J. Wiid B. Baker 《Biochemical and biophysical research communications》2018,495(1):174-178
Mycobacterium tuberculosis (M.tb.), the causative agent of tuberculosis (TB), cannot synthesize GSH, but synthesizes two major low molecular weight thiols namely mycothiol (MSH) and ergothioneine (ERG). Gamma-glutamylcysteine (GGC), an intermediate in GSH synthesis, has been implicated in the protection of lactic acid bacteria from oxidative stress in the absence of GSH. In mycobacteria, GGC is an intermediate in ERG biosynthesis, and its formation is catalysed by EgtA (GshA). GGC is subsequently used by EgtB in the formation of hercynine-sulphoxide-GGC. In this study, M.tb. mutants harbouring unmarked, in-frame deletions in each of the fives genes involved in ERG biosynthesis (egtA, egtB, egtC, egtD and egtE) or a marked deletion of the mshA gene (required for MSH biosynthesis) were generated. Liquid chromatography tandem mass spectrometry analyses (LC-MS) revealed that the production of GGC was elevated in the MSH-deficient and the ERG-deficient mutants. The ERG-deficient ΔegtB mutant which accumulated GGC was more resistant to oxidative and nitrosative stress than the ERG-deficient, GGC-deficient ΔegtA mutant. This implicates GGC in the detoxification of reactive oxygen and nitrogen species in M.tb. 相似文献
8.
In this paper, a kind of Typhaceae plant species, Typha angustifolia L, with a high tolerance to Cr is described. Experiments were carried out to examine its ability to tolerant Cr and its physiological response. The results showed that there was no difference in growth, plant height, and biomass response to external Cr (VI) between the plants exposed to 100 microM Cr (VI) and control (0 microM), while increasing Cr levels to 200-800 microM induced a significant decrease in plant height and biomass, but no significant injury was detected, even for the plants exposed to 800 microM Cr. Chromium induced significant increases in superoxide dismutase (SOD) and peroxidase (POD) activities. Meanwhile, a significantly positive correlation was found between Cr and Mn or Cu in leaves and roots, respectively. The Cr tolerance of the plant appeared to be associated with the enhancement of SOD and POD activities and the improvement in uptake and translocation of the essential microelements. 相似文献
9.
The mitogenic responses of separated rabbit lymphocyte populations functionally analogous to mouse T and B cells have been tested in vitro. Purified T cells were prepared by passage over nylon wool (NW) and purified B cells prepared by treatment with antithymocyte serum and complement (ATS + C). ATS + C kills 70% of peripheral blood lymphocytes (PBL's) and 50% of the spleen cells while passage over NW yields 40% of the applied PBL's and 5–23% of the applied spleen cells. NW-purified T cells from the spleen or PBL's respond fully to concanavalin A (Con A) but have a reduced response to phytohemaglutinin (PHA) and little or no response to goat anti-rabbit immunoglobulin (anti-Ig). PBL's that survive ATS + C (B cells) are stimulated by anti-Ig but not by Con A or PHA. B cells purified from spleen do not respond to Con A or PHA but will respond to anti-Ig under appropriate conditions. A full spleen B-cell response to anti-Ig required removal of Ig produced by the cultures that blocked anti-Ig stimulation. It is concluded that, for rabbit lymphocytes, Con A and PHA are primarily T-cell mitogens and that anti-Ig is primarily a B-cell mitogen. However, the mitogen response of unfractionated PBL or spleen cell populations indicates an overlap in reactivity. This could be due to cells sharing T and B properties, alteration of cell populations by the fractionation procedures used, or recruitment of one population in the presence of a mitogenic response of the other population. 相似文献
10.
八种脑-肠肽侧脑室内注射对大鼠基础胃酸分泌的影响 总被引:1,自引:0,他引:1
用乌拉坦麻醉大鼠作急性实验,采用连续灌流胃并收集流出液的方法,观察向侧脑室内注射微量脑-肠肽对大鼠基础胃酸分泌的影响。实验结果如下:(1)雨蛙肽、八肽胆囊收缩素、促甲状腺素释放激素及四肽胃泌素均使总酸排出量增加;(2)生长抑素、胰多肽、P 物质、胰高血糖素则使总酸排出量减少;(3)上述肽类用侧脑室注射的剂量作肌肉注射,除四肽胃泌素也产生明显的刺激胃酸分泌作用外,对胃酸分泌均无明显影响。以上结果提示,脑内的一些肽类可能以神经递质或调制物的方式,参与中枢对胃酸分泌的调节。 相似文献
11.
邻苯二甲酸二丁酯对翡翠贻贝抗氧化酶及脂质过氧化水平的影响 总被引:4,自引:1,他引:4
实验室条件下,研究了不同浓度邻苯二甲酸二丁酯(DBP)长期胁迫(15 d)对翡翠贻贝内脏团和外套膜抗氧化酶(超氧化物歧化酶SOD、过氧化氢酶CAT)及脂质过氧化(LPO)水平(以MDA含量表示)的影响,以及受胁迫翡翠贻贝在清洁海水中恢复阶段上述生化指标的变化特征.结果表明:胁迫阶段,0.5和2.5 mg.L-1DBP下翡翠贻贝内脏团SOD活性表现为先抑制后逐渐恢复,12.5和62.5 mg.L-1下则持续受到显著抑制;不同浓度组CAT活性均明显被抑制.LPO水平明显升高.外套膜中,2.5 mg.L-1下SOD活性受到持续诱导,其他浓度组则先被抑制,后随曝露时间延长逐渐被诱导;各浓度组CAT的变化波动较大,没有明显规律;而LPO水平明显升高.净化恢复阶段,12.5和62.5 mg.L-1DBP胁迫下的内脏团SOD和CAT活性恢复较慢,其LPO水平随时间延长逐渐恢复至对照组水平;外套膜中SOD活性呈持续升高趋势,CAT活性和LPO水平则随时间延长恢复到对照组水平. 相似文献
12.
多马胺能药物对鲇鱼促性腺激素(GtH)分泌活动的影响 总被引:1,自引:0,他引:1
以珠江流域鲇鱼(silurus asotus)为实验材料,研究了多巴胺(DA)能药物(DA及其D-2型受体拮抗物 ,DOM)对鲇鱼促性腺激素(GtH)释放的影响,结果表明,在性腺发育的各个时期,单独注射DOM(5ug/g)均不能显著提高鲇鱼血液基础GtH水平,当DOM与LHRH-A联合注射时能显著增强LHRH-A刺激GtH释放的作用;DA只能抑制GnRH诱导的GtH释放,对基础GtH释放无抑制作用,这种生殖内分泌调节方式与鲇形目的革胡子鲇(Clarias gariepinus)和大鳍Hu(Mystus macropterus)相似,而与鲤形目的鲁科(Cyrpindiae)鱼类不同。 相似文献
13.
Geetika Aggarwal Linda S. May-Zhang Valery Yermalitsky Sergey Dikalov Maxim A. Voynov Venkataraman Amarnath Valentina Kon MacRae F. Linton Kasey C. Vickers Sean S. Davies 《The Journal of biological chemistry》2021,297(3)
Reduced activity of paraoxonase 1 (PON1), a high-density lipoprotein (HDL)-associated enzyme, has been implicated in the development of atherosclerosis. Post-translational modifications of PON1 may represent important mechanisms leading to reduced PON1 activity. Under atherosclerotic conditions, myeloperoxidase (MPO) is known to associate with HDL. MPO generates the oxidants hypochlorous acid and nitrogen dioxide, which can lead to post-translational modification of PON1, including tyrosine modifications that inhibit PON1 activity. Nitrogen dioxide also drives lipid peroxidation, leading to the formation of reactive lipid dicarbonyls such as malondialdehyde and isolevuglandins, which modify HDL and could inhibit PON1 activity. Because isolevuglandins are more reactive than malondialdehyde, we used in vitro models containing HDL, PON1, and MPO to test the hypothesis that IsoLG formation by MPO and its subsequent modification of HDL contributes to MPO-mediated reductions in PON1 activity. Incubation of MPO with HDL led to modification of HDL proteins, including PON1, by IsoLG. Incubation of HDL with IsoLG reduced PON1 lactonase and antiperoxidation activities. IsoLG modification of recombinant PON1 markedly inhibited its activity, while irreversible IsoLG modification of HDL before adding recombinant PON1 only slightly inhibited the ability of HDL to enhance the catalytic activity of recombinant PON1. Together, these studies support the notion that association of MPO with HDL leads to lower PON1 activity in part via IsoLG-mediated modification of PON1, so that IsoLG modification of PON1 could contribute to increased risk for atherosclerosis, and blocking this modification might prove beneficial to reduce atherosclerosis. 相似文献
14.
Cells isolated from Lepidopteran insects (butterfly and moths) display very high radioresistance as compared to mammals and other insect
species. Since free radical induced mitochondrial damage under stress conditions is very crucial for cellular fate determination, antioxidant
system is the major protective modality required to minimize stress-induced damage and to modulate cellular sensitivity. In this study, we
predict the mitochondrial localization potential and co-existence of important antioxidant enzymes in insect cells and compare with other
radiosensitive (mammals, Dipteran insects) and radioresistant (nematodes) species. Our study clearly demonstrates the inter-species
variation in then localization potential of various antioxidant enzymes. A higher mitochondrial localization potential as a function of
mitoprot score was evident for all important antioxidant enzymes in the lepidopteran insect Bombyx mori (Mn-SOD, 0.694; GPx, 0.862;
TRPx, 0.997; TR, 0.9), besides an unusual mitochondrial localization prediction for catalase (0.453). We further found coexistence of
glutathione and thioredoxin system in the mitochondria of lepidopteran insects as also reported in various plant species. On the basis of
above observations, we hypothesize that a strong mitochondrial antioxidant enzyme system including the unusual coexistence of catalase,
glutathione and thioredoxin system may help minimize the free radical mediated damage to mitochondria and can contribute to the intrinsic
radioresistance of lepidopteran insects. 相似文献
15.
W. Fisc R. Bergf C. Pla R. Schfer P. Schopfer 《Plant biology (Stuttgart, Germany)》1988,101(4):344-354
Under defined environmental conditions (20°C, continuous light of 15 klx) development of mustard seeds from artificial pollination to maturity takes about 60 d. After surpassing the period of embryo cell division and histodifferentiation (12–14d after pollination = dap), the seed enters into a maturation period. The time courses of various physiological, biochemical, and structural changes of embryo and testa during seed maturation were analyzed in detail (dry and fresh mass changes, osmotic and water potential changes, respiration, DNA amplification by endomitosis, total ribosome and polysome formation, storage protein synthesis and accumulation, storage lipid accumulation). In addition to the final storage products protein and lipid, embryo and testa accumulate transiently large amounts of starch within the chloroplasts during early maturation. Concomitantly with the subsequent total breakdown of the starch, the plastids lose most of their internal structure and chlorophyll and shrink into proplastids, typical for the mature seed. At about 30 dap the seeds shift from a desiccation-sensitive to a desiccation-tolerant state and are able then to germinate rapidly upon drying and reimbibition. If isolated from the immature fruit and sown directly on water, the seeds demonstrate precocious germination from about 13 dap onwards. Young seeds (isolated ≦ 38 dap) germinate only after surpassing a lag-phase of several days (after-ripening) during which the embryo continues to accumulate storage protein and lipid at the expense of the surrounding seed tissues. We conclude from these results that the maturing seed represents a rather closed developmental system which is able to continue its development up to successful germination without any specific regulatory influence from the mother plant. Immature seeds are able to germinate without a preceding dehydration treatment, which means that partial or full desiccation does not serve as an environmental signal for reprogramming seed development from maturation to germination. Instead, it is argued that the water relations of the seed are a critical element in the control of maturation and germination: during maturation on the mother plant the embryo is subject to a considerable turgor pressure (of the order of 12 bar) accompanied by a low water potential (of the order of ?12 bar). This turgor permits maturation growth but is subcritical for germination growth. However, upon imbibition in water, the low water potential provides a driving force for a burst of water uptake overcoming the critical turgor threshold and thereby inducing germination. 相似文献
16.
During the last decade increasing attention has been given to the role of free radicals in biological oxidations. The subject has been of increasing interest to both the food scientist and the physiologist. Free radical scavengers in the form of both indigenous and added antioxidants are necessary for the successful preservation of food; free radicals are increasingly being implicated in the onset of, among others, ischaemic heart disease and for protection against these diseases it is suggested that the dietary intake of the antioxidant vitamins should be increased especially for diets high in polyunsaturated fats. 1,2 Convenience and snack foods which absorb substantial amounts of frying oils are being increasingly consumed. Since poly-unsaturated fatty acids are particularly susceptible to oxidation by free radicals during the storage, cooking and frying of foods, the potential risk of exposure to lipid degradation products' is likely to have increased. In foods the non-enzymic and lipoxygenase catalysed oxidation of polyunsaturated fatty acids, β-carotene and vitamin A can result in the loss of essential nutrients and the development of off-flavours. 相似文献
17.
电针大鼠的血清中淋巴细胞转化抑制因子的作用机制分析 总被引:2,自引:0,他引:2
本室以前的工作表明:电针(2H_z,3V,30min/d)刺激 SD 大鼠双侧足三里-三阴交,5d后,大鼠血清中产生出淋巴细胞转化抑制因子,本工作对此抑制因子的作用机制进行了初步研究,主要结果如下:(1)电针大鼠的血清不仅显著抑制 Con A 刺激的小鼠淋巴结 T 淋巴细胞转化,还可显著抑制 Con A 刺激的小鼠胸腺细胞和脾脏 T 淋巴细胞转化;同时也发现电针大鼠的血清能显著抑制脂多糖(LPS)刺激的小鼠淋巴结 B 淋巴细胞转化。提示此淋巴细胞转化抑制因子对不同淋巴器官及不同类型的淋巴细胞无选择性作用。(2)将电针大鼠的血清同小鼠淋巴结细胞培养1h,电针大鼠的血清就可显著抑制 Con A 刺激的 T 淋巴细胞转化;将小鼠淋巴结细胞同 Con A 预培养30min,电针大鼠的血清的抑制作用便消失,提示电针大鼠血清中淋巴细胞转化抑制因子作用于 Con A 刺激 T 淋巴细胞活化的早期阶段,同时也排除了此抑制因子的细胞毒作用。(3)电针大鼠的血清显著抑制蛋白激酶 C(PKC)激活剂 PMA和 PMA 加 ca~(2+)通道 A23187刺激的小鼠淋巴结细胞转化,提示淋巴细胞转化抑制因子通过抑制 PKC 的活性或抑制 PKC 介导的细胞活化通路,抑制有丝分裂原刺激的淋巴细胞转化。 相似文献
18.
镉(Cd)与UV-B复合胁迫影响大豆胚轴生长的生理调节机制研究 总被引:4,自引:1,他引:3
通过研究大豆胚轴生长及内源吲哚乙酸(IAA)、赤霉素(GAs)、过氧化物酶(POD)和吲哚乙酸氧化酶(IAA oxidase)活性变化对Cd、UV-B辐射和Cd UV-B(复合胁迫)的响应。分析了激素水平、酶活性变化以及胚轴生长变化特性。结果表明,UV—B辐射引起大豆上胚轴伸长减小;但Cd对上胚轴伸长无明显影响;Cd UV—B使上胚轴长度比UV—B作用时明显增加。UVB辐射显著降低了胚轴IAA含量;而GAs含量却显著升高;Cd胁迫下IAA和GAs变化并不明显;但Cd UV—B使IAA含量显著升高,而对GAs无明显影响。UVB辐射使IAA氧化酶和POD活性显著增强,而Cd对这两种酶活性影响并不明显;但Cd UV—B复合胁迫下胚轴的IAA水平较高。尽管UVB辐射引起胚轴中GAs含量显著增加,但研究结果显示IAA含量变化是胁迫下引起胚轴生长改变的更直接原因。研究还表明Cd UV—B时,大大削弱了UV—B辐射下IAA氧化酶活性增强,加之Cd对POD活性的抑制,导致复合胁迫下胚轴的IAA水平较高。证明复合胁迫可以改变单一胁迫下植物激素的调控机制。 相似文献
19.
《Bioorganic & medicinal chemistry letters》2014,24(7):1692-1694
Antitumor effects of a known bis(imino-quinolyl)palladium(II) complex 1 and its newly synthesized platinum(II) analogue 2 were evaluated against human breast (MCF-7) and human colon (HT-29) cancer cell lines. The complexes gave cytotoxicity profiles that were better than the reference drug cisplatin. The highest cytotoxic activities were pronounced in complex 2 across the two examined cancer cell lines. Both compounds represent potential active drugs based on bimetallic complexes. 相似文献
20.
Tarek Mohamed Wesseem Osman Gary Tin Praveen P.N. Rao 《Bioorganic & medicinal chemistry letters》2013,23(15):4336-4341
The commonly used beverage and psychostimulant caffeine is known to inhibit human acetylcholinesterase enzyme. This pharmacological activity of caffeine is partly responsible for its cognition enhancing properties. However, the exact mechanisms of its binding to human cholinesterases (acetyl and butyrylcholinesterase; hAChE and hBuChE) are not well known. In this study, we investigated the cholinesterase inhibition by the xanthine derivatives caffeine, pentoxifylline, and propentofylline. Among them, propentofylline was the most potent AChE inhibitor (hAChE IC50 = 6.40 μM). The hAChE inhibitory potency was of the order: caffeine (hAChE IC50 = 7.25 μM) < pentoxifylline (hAChE IC50 = 6.60 μM) ? propentofylline (hAChE IC50 = 6.40 μM). These compounds were less potent relative to the reference agent donepezil (hAChE IC50 = 0.04 μM). Moreover, they all exhibited selective inhibition of hAChE with no inhibition of hBuChE (IC50 > 50 μM) relative to the reference agent donepezil (hBuChE IC50 = 13.60 μM). Molecular modeling investigations indicate that caffeine binds primarily in the catalytic site (Ser203, Glu334 and His447) region of hAChE whereas pentoxifylline and propentofylline are able to bind to both the catalytic site and peripheral anionic site due to their increased bulk/size, thereby exhibiting superior AChE inhibition relative to caffeine. In contrast, their lack of hBuChE inhibition is due to a larger binding site and lack of key aromatic amino acids. In summary, our study has important implications in the development of novel caffeine derivatives as selective AChE inhibitors with potential application as cognitive enhancers and to treat various forms of dementia. 相似文献