ライフサイエンスコーパス: cation-pi interaction

1 residues in its ability to bind cations (the cation-pi interaction).

2 al ion, as well as at least one phenyl ring (cation-pi interaction).

3 he223, thus supporting the importance of the cation-pi interaction.

4 e aromatic rings of these residues, namely a cation-pi interaction.

5 form NH(4)(+) and, inevitably, its potential cation-pi interaction.

6 Phe (1.2-fold), which is characteristic of a cation-pi interaction.

7 eraction while the R600M mutant disrupts the cation-pi interaction.

8 -polar interactions, hydrogen bonding, and a cation-pi interaction.

9 toward one that would experience a favorable cation-pi interaction.

10 bank experience an energetically significant cation-pi interaction.

11 g is more likely than that of Lys to be in a cation-pi interaction.

12 singly strong, non-covalent force termed the cation-pi interaction.

13 mphasizes the electrostatic component of the cation-pi interaction.

14 through an interplay of hydrogen bonding and cation-pi interaction.

15 ional dynamics, and interfering with His-Trp cation-pi interaction.

16 ment in the Trp44Met mutant, which lacks the cation-pi interaction.

17 rmediates in the cyclization cascade through cation-pi interactions.

18 site residues, including hydrogen bonds and cation-pi interactions.

19 cts with a lysine or N-methylated lysine via cation-pi interactions.

20 on-dependent potentials describing pi-pi and cation-pi interactions.

21 ls the energetic advantages of multiple weak cation-pi interactions.

22 bilize the carbocation intermediates through cation-pi interactions.

23 at influence the magnitude of the individual cation-pi interactions.

24 lts studied in proteins or model peptides on cation-pi interactions.

25 oidance of electropositive amino groups, and cation-pi interactions.

26 gn cyclic peptides C(X) featuring persistent cation-pi interactions.

27 to stabilize bound cationic ligands through cation-pi interactions.

28 conformation of several FPT residues through cation-pi interactions.

29 tion Motifs (RRMs) through electrostatic and cation-pi interactions.

30 for activation of carbonate is stabilized by cation-pi interactions.

31 abilization of crucial intermediates through cation-pi interactions.

32 sms of allergen-antibody recognition through cation-pi interactions.

33 the light alkali metals exclusively through cation-pi interactions.

34 ine groups with structures characteristic of cation-pi interactions.

35 ordination at the Na1 site, possibly through cation-pi interactions.

36 -275 of contact point III through Trp-224 by cation-pi interactions.

37 e resulting carbocation intermediate through cation-pi interactions.

38 hanges mediated by extracellular loop 4, and cation-pi interactions.

39 We discuss the topics of cation-pi interactions (2.1), hydrophobic effects (2.2),

40 Cation-pi interaction, a prominent feature in agonist re

41 e a n-BuNH3(+) guest mainly through a 4-fold cation-pi interaction aided by a weak H-bonding interact

42 Our simulations suggest that cation-pi interactions among W30, R190, and R93 are resp

43 utes to cation selectivity by a dual role of cation-pi interaction and a luminal steric effect.

44 a cyclically permuted, hybrid electrostatic/cation-pi interaction and is a potent bacteriostatic age

45 high potency by taking advantage of both the cation-pi interaction and the backbone hydrogen bond.

46 by aromatic residues (Tyr145 and Phe147) via cation-pi interactions and by backbone carbonyl groups (

47 tivity and suggest that both receptor-ligand cation-pi interactions and hydrogen bonding are importan

48 methyllysine via a combination of favourable cation-pi interactions and the release of the high-energ

49 ic site prevents formation of intermolecular cation-pi interactions and, thus, interferes with the pr

50 ree key binding interactions at the nAChR: a cation-pi interaction, and two hydrogen-bonding interact

51 robed hydrophobic effects, hydrogen bonding, cation-pi interactions, and conformational changes assoc

52 on of the RNA through shape complementarity, cation-pi interactions, and multiple hydrogen bonds.

53 ncluding neutral and ionic hydrogen bonding, cation-pi interactions, and pi-pi stacking interactions.

54 biological implications of the alkali metal cation-pi interaction are addressed.

55 that the loss of a salt bridge in SLO and a cation-pi interaction are determining factors in the ext

56 esented for a mechanism in which stabilizing cation-pi interactions are a principal determinant of en

57 ntact with the sugar-phosphate backbone, and cation-pi interactions are also important.

58 The structural consequences of divalent cation-pi interactions are clearly distinct from, and so

59 Cation-pi interactions are found to be common among stru

60 t and circumstantial evidence indicates that cation-pi interactions are important in a variety of pro

61 Cation-pi interactions are increasingly recognized as im

62 ractions on planar surfaces, and alternative cation-pi interactions are not observed.

63 The cation-pi interactions are not sensitive to the screenin

64 Cation-pi interactions are one of the most important cla

65 tein-ligand hydrogen bonding, aryl-aryl, and cation-pi interactions are responsible for the high affi

66 trands in an antiparallel arrangement (e.g., cation-pi interactions) are responsible for the stabiliz

67 chains of amino acid residues, the so-called cation-pi interaction, are thought to contribute to the

68 nhibition constant versus BChE due to strong cation-pi interactions, as revealed by the solved crysta

69 ions with tyrosine residues and suggest that cation-pi interactions at the interface may be a mechani

70 A redistribution of salt bridges and cation-pi interactions at the N-terminal segment prompts

71 Cu(+)/Ag(+) chaperone CusF features a novel cation-pi interaction between a Cu(+)/Ag(+) ion and Trp4

72 vestigated the orientation dependence of the cation-pi interaction between a phenyl ring and a pyridi

73 The energetic contribution of the observed cation-pi interaction between a tryptophan and the prima

74 are in agreement with our model suggesting a cation-pi interaction between AdA and Ins(1,4,5)P3R.

75 These studies showed that a cation-pi interaction between an aryl moiety and an N2(+

76 and the acyl guanidine carbonyl group, and a cation-pi interaction between Arg235 and the isothiazole

77 data provide evidence for the presence of a cation-pi interaction between Arg58 of Ste2p and Tyr(13)

78 strate that this activation is mediated by a cation-pi interaction between Arg68 and Trp188.

79 contacts, a network of hydrogen bonds, and a cation-pi interaction between BamA Tyr-255 and BamB Arg-

80 ingly fluorinated, a result in accord with a cation-pi interaction between Ca(2+) and the aromatic ri

81 y and edge-to-face (EtF) packing motif and a cation-pi interaction between Lys(1) and the Trp residue

82 In one of these conformations, cation-pi interaction between Lys3 and Tyr9/Phe9 is clea

83 A cation-pi interaction between one of these residues and

84 The cation-pi interaction between positively charged and aro

85 A cation-pi interaction between serotonin and Trp183 of th

86 es at W6.48 of the D2 receptor establishes a cation-pi interaction between the agonist dopamine and W

87 assembly, probably involving an intrasubunit cation-pi interaction between the guanidinium moiety of

88 The crystal structures revealed a favorable cation-pi interaction between the ligand and the aromati

89 How general is the cation-pi interaction between the natural ligand and a t

90 KIX contains a buried cation-pi interaction between the positively charged gua

91 uaternary ammonium group so as to reduce the cation-pi interaction between this moiety and the aromat

92 mained stable, suggesting the formation of a cation-pi interaction between those residues.

93 d a protein with an inter- or intramolecular cation-pi interaction between tryptophan (Trp) and an am

94 site-directed mutagenesis, we propose that a cation-pi interaction between Tyr-33 and the lipid headg

95 finity block, suggesting the importance of a cation-pi interaction between Tyr-652 and the basic tert

96 ly known hydrogen bonding, we found out that cation-pi interactions between adenine base and positive

97 Cation-pi interactions between amino acid side chains ar

98 site, lined with aromatic walls that provide cation-pi interactions between host and guest.

99 olysulfide binding originates from favorable cation-pi interactions between Li(+) of lithium polysulf

100 However, the occupancies of cation-pi interactions between PC choline headgroups and

101 We have investigated the magnitude of cation-pi interactions between phenylalanine (Phe) and l

102 g generally is attributed to the presence of cation-pi interactions between the methylated lysine and

103 Hydrogen-bonding and cation-pi interactions between the receptor and the resp

104 98, and alphaE402 to betaR394, and ends in a cation/pi interaction between betaR394 and alphaF406.

105 en bonding, pi-pi stacking interactions, and cation-pi interactions) between adenine base and surroun

106 es do not activate the I(Ks) channel through cation-pi interactions, but instead do so through a comb

107 Y48) bind to a Kme3-histone tail peptide via cation-pi interactions, but linear free energy trends su

108 include numerous salt bridges and interchain cation-pi interactions, but not intramolecular disulfide

109 Here we investigate the cation-pi interaction by determining its effect on the h

110 he S-H/pi interaction differs from classical cation/pi interactions by the preferential alignment of

111 Experimental data supporting a significant cation-pi interaction can be regained through a series o

112 hese results indicate that even the simplest cation-pi interaction can provide significant stability

113 th theoretical calculations emphasizing that cation-pi interactions can contribute significantly to p

114 We report that anion-pi and cation-pi interactions can occur on the same aromatic su

115 Although cation-pi interactions commonly involve aromatic or hete

116 gen bonding and a His/Trp pair involved in a cation-pi interaction contribute to selective and specif

117 sults reveal that multiple weaker nonoptimal cation-pi interactions contribute significantly to the o

118 A series of critical cation-pi interactions contribute to the stability of th

119 unity to computationally examine the role of cation-pi interactions, desolvation of the epsilon-methy

120 Cation-pi interactions drive the self-assembly and cohes

121 lysis (EDA) scheme reveal that through-space cation-pi interactions essentially contribute to observe

122 es prefer open-cage structures with only one cation-pi interaction, except perhaps Cs(+).

123 However, like a hydrogen bond, the cation-pi interaction exhibits a typical binding affinit

124 Cation-pi interactions exist between Lys-65, Arg-83, and

125 The importance of the cation-pi interaction for binding and electron transfer

126 find that the alpha7 receptor also employs a cation-pi interaction for ligand recognition, but the si

127 s simultaneous bridging hydrogen bonds and a cation-pi interaction for which the Arg guanidino group

128 esults further confirm the essential role of cation-pi interactions for the binding of a methylated H

129 The results suggest that while a cation-pi interaction geometrically exists in the G(t)al

130 ave become mainstays of catalyst design, the cation-pi interaction has been comparatively underutiliz

131 Cation-pi interactions have been overlooked in the lipoc

132 Cation-pi interactions have been proposed to be importan

133 Although cation-pi interactions have been studied in a number of

134 Substituent effects in cation/pi interactions have been examined using the M05-

135 ified aromatic head groups designed to probe cation-pi interactions, hydrogen bonding, and ionic inte

136 The cation-pi interaction impacts protein folding, structura

137 e contribution of two aromatic residues to a cation-pi interaction in a Cys-loop receptor.

138 ew surveys the burgeoning application of the cation-pi interaction in catalysis.

139 The nature and strength of the cation-pi interaction in protein-ligand binding are mode

140 n the cyclic peptide C(Phe) was removed, the cation-pi interaction in the acyclic peptide AC(Phe) rem

141 Trp44 remains oriented to form the cation-pi interaction in the apo state and faces an ener

142 R experiments confirmed the existence of the cation-pi interaction in the carboxamide analogues.

143 Furthermore, we discovered an uncommon cation-pi interaction in the Na(+)-binding site located

144 Data revealed that the interloop cation-pi interaction in the pair Phe28-Lys108 contribut

145 -R193L variant to disrupt a proposed Arg-His cation-pi interaction in the secondary coordination sphe

146 he geometries are often far from the optimal cation-pi interaction in which the cation approaches in

147 82 is restrained by a set of hydrophobic and cation-pi interactions in a cage formed by four aromatic

148 t for energetic contributions arising out of cation-pi interactions in biomolecules.

149 ynamic peptide systems highlight the role of cation-pi interactions in both intermolecular recognitio

150 lecular complex has been adapted to quantify cation-pi interactions in chloroform by using chemical d

151 hat electrostatic interactions dominate over cation-pi interactions in determining the locations of t

152 ts, highlights the role of electrostatic and cation-pi interactions in driving fiber formation, stabi

153 ns, 1.0 pi-pi stacking interactions, and 0.8 cation-pi interactions in each adenylate-binding protein

154 Phe) is a prototype for the participation of cation-pi interactions in metal-ion binding to biologica

155 ics provide useful guidelines for predicting cation-pi interactions in new systems.

156 spectroscopic tools for the investigation of cation-pi interactions in numerous biological systems, a

157 Cation-pi interactions in protein structures are identif

158 structural models support the involvement of cation-pi interactions in stabilizing the complex.

159 he available data suggest a possible role of cation-pi interactions in the recognition of methylated

160 ious literature estimates of the strength of cation-pi interactions, including some that estimate str

161 Consistent with a cation-pi interaction, increased fluorination of Phe401,

162 The cation-pi interaction influence on the conformation and

163 that are protonated and therefore encounter cation-pi interactions inside the cavity.

164 drogen bonding to the lipid carbonyl groups, cation-pi interactions, interactions between the indole

165 ared to arenes contribute to the strength of cation-pi interactions involving olefinic pi-bonds.

166 The alkali metal cation-pi interaction is a force of potentially profound

167 The cation-pi interaction is an important, general force for

168 Thus, the buried cation-pi interaction is critical for specifying the uni

169 nserved among protein tyrosine kinases, this cation-pi interaction is likely a signature structural f

170 -gated sodium channel and demonstrate that a cation-pi interaction is responsible for the obligate na

171 ased on the identified RNA-binding region, a cation-pi interaction is suggested to be responsible for

172 The pivotal role played by cation-pi interactions is demonstrated by the linear cor

173 act through H-bonding and/or cation-carbonyl/cation-pi interactions is reviewed with an eye towards u

174 ization, the trend in substituent effects in cation/pi interactions is captured by an additive model

175 BH interacts with the charged cations via cation-pi interaction, leading to dynamic modulation of

176 The cation-pi interactions link previously identified struct

177 to the agonist binding site, suggesting that cation-pi interactions may be involved in binding the qu

178 al of the calculated structures suggest that cation-pi interactions may be involved in binding.

179 It appears that cation-pi interactions may be likely in soils with excep

180 ent complex between 5 and 6 with a prominent cation-pi interaction, obtained from MD simulations, was

181 nesis identified the critical contact as the cation-pi interaction of E3 Y47 with E2.

182 40 are plausible candidates for the proposed cation-pi interaction of Trp 38.

183 th ADP-RA complex, which helps stabilize the cation-pi interaction of Y211-R119.

184 ounds has been attributed to pi-stacking and cation-pi interactions of a drug (e.g., cisapride) with

185 MR spectroscopic titrations, the energies of cation-pi interactions of the amino acid derivative AcLy

186 tural analysis of O-H/pi interactions and of cation/pi interactions of alkali metal cations with arom

187 aromatic ring showed a greater potential for cation-pi interactions on montmorillonite surfaces.

188 ional noncovalent bonds, e.g., salt bridges, cation-pi interactions or aromatic-aromatic interactions

189 and enantioselectivity, while preference for cation-pi interactions over C-H...pi is responsible for

190 The cation-pi interaction persists in both DMSO and aqueous

191 cal shifts clearly show the existence of the cation-pi interaction, pK(a) values of Lys3 in C(Tyr) an

192 N-acylation of the lactim tautomer and that cation-pi interactions play a key role in the chiral rec

193 d residues differently, which indicates that cation-pi interactions play an important role in determi

194 ariations in enantioselectivity suggest that cation-pi interactions play an important role in stereod

195 Energetically favorable cation-pi interactions play important roles in numerous

196 ctural coupling between the two loops by the cation-pi interaction played an important role in Csk su

197 In this work, we describe how a network of cation-pi interactions present in proteins containing "W

198 n of the receptor-PTM complex indicates that cation-pi interactions provide the main driving force fo

199 ame system the postulated Phe/Arg (i, i + 4) cation-pi interaction provides no net free energy to hel

200 und that both electrostatic interactions and cation-pi interactions regulate the position of small co

201 These cation-pi interactions require access of cations or thei

202 up significantly compensated for the reduced cation-pi interaction resulting from the increased separ

203 ated rhodopsin (R*) geometrically suggests a cation-pi interaction stabilizing the structure between

204 Cation-pi interactions, such as the highly conserved Trp

205 These observations of cation-pi interactions suggest a number of new mechanist

206 L-AChRs proposes that ACh forms the typical cation-pi interaction, suggests why levamisole is less e

207 together with functional studies, identify a cation-pi interaction that controls selectivity.

208 ributed to development of a tryptophan-lipid cation-pi interaction that is more stabilizing than an i

209 port the involvement of a coordinated set of cation-pi interactions that stabilize the tertiary struc

210 X is attracted to Tyr401 of NaV1.4 through a cation-pi interaction, this aromatic residue was replace

211 The alpha4beta4 receptor utilizes a strong cation-pi interaction to a conserved tryptophan (TrpB) o

212 that the cationic center makes an important cation-pi interaction to a conserved tryptophan, but the

213 inity for nicotine is the result of a strong cation-pi interaction to a specific aromatic amino acid

214 des, indicating that the contribution of the cation-pi interaction to binding is small or compensated

215 affinities demonstrates the necessity of the cation-pi interaction to binding with the chromodomain a

216 We find that all drugs make a cation-pi interaction to TrpB of the receptor.

217 The ability of cation-pi interactions to act as a controlling element d

218 en bonding, pi-pi stacking interactions, and cation-pi interactions) to the overall binding force of

219 The interface region also includes three cation-pi interactions (Tyr-58-Lys-368, Tyr-90-Lys-379,

220 re, we show that an energetically equivalent cation-pi interaction underlies both use-dependent and t

221 The W352-R318 interaction, called a cation-pi interaction, uniquely couples the two loops in

222 o) is significantly decreased by the loss of cation-pi interactions upon water adsorption.

223 Interestingly, no comparable cation-pi interaction was found at the aligning residue

224 of the pK(a) criterion for the existence of cation-pi interactions, we determined residue-specific p

225 d structural preorganization on formation of cation-pi interactions, we studied these interactions in

226 rous energetically significant and conserved cation-pi interactions were uncovered in TL and througho

227 ay differ; some readers exhibit evidence for cation-pi interactions whereas others do not.

228 proposed that the selectivity is governed by cation-pi interactions, which can be modulated by choice

229 revealed the predominance of intermolecular cation-pi interactions, which occurred between the pi sy

230 he backbone of V595 but still allows for the cation-pi interaction while the R600M mutant disrupts th

231 calculations confirm the importance of such cation-pi interactions, whose intermolecular interaction

232 ation of Lys results in the replacement of a cation-pi interaction with an amide-pi interaction.

233 The nitrogen-radical cation-pi interaction with arenes used throughout nature

234 he DBD, folds back onto the latter and has a cation-pi interaction with Arg174.

235 ) receptors, a Tyr residue in loop A forms a cation-pi interaction with GABA, while in GABA(C) recept

236 In AVP-pVIc, Tyr-84 forms a cation-pi interaction with His-54 that should raise the

237 ies binds in an induced-fit pocket forming a cation-pi interaction with R1173 of CREBBP.

238 stallography suggests that sulfoxides make a cation-pi interaction with the benzene ring of Phe-93.

239 he epsilon-ammonium group of Lys 235 forms a cation-pi interaction with the cyclohexadienyl moiety of

240 alent cations, in particular Mg2+, through a cation-pi interaction with the electron-rich aromatic ri

241 laudins contributes to cation selectivity by cation-pi interaction with the permeating cation.

242 drin intermediate by engaging in a nonbonded cation-pi interaction with the positively charged diazon

243 itioned such that they could contribute to a cation-pi interaction with the primary ammonium of GABA,

244 ring of the phenyl aliphatic amines may form cation-pi interaction with the pyridinium of the interme

245 ACh makes a cation-pi interaction with Trp alpha149, while nicotine

246 3 unit of AdoMet is protected by a favorable cation-pi interaction with Trp41.

247 target receptor, varenicline does not form a cation-pi interaction with TrpB, further supporting a un

248 Additional affinity is provided by a double cation-pi interaction with two tryptophan residues.

249 ACh participates in a cation-pi interaction with TyrA, whereas epibatidine par

250 TyrA, whereas epibatidine participates in a cation-pi interaction with TyrC2.

251 al structural diversity, all modulators form cation-pi interactions with clusters of aromatic residue

252 residues, the most significant of which are cation-pi interactions with F206 and Y254, H-bonds with

253 ) side chain periodically experiences strong cation-pi interactions with His(37) at low pH as the ind

254 Our previous studies of cation-pi interactions with Na(+) and K(+) involved the

255 The BTX ammonium group is engaged in cation-pi interactions with Phe_3i16 and BTX moieties in

256 of ionic interactions with glutamic acid or cation-pi interactions with phenylalanine.

257 f 4 and 5 has favorable hydrogen bonding and cation-pi interactions with residue Trp149.

258 M4 C terminus form a network of pi-pi and/or cation-pi interactions with residues on M3 and the beta6

259 uaternary ammonium compounds formed pi-pi or cation-pi interactions with the aromatic groups elsewher

260 of 1 predominantly occurs via electrostatic cation-pi interactions with the Si horizontal lineSi pi-

261 , and Trp-456 in an arrangement suitable for cation-pi interactions with the trimethylammonium group

262 allyl ligands bridge the metals and display cation-pi interactions with them.

263 The charge provides favorable cation-pi interactions with Trp56 and Trp102 and decreas

264 s suggest that the amine group of GABA forms cation-pi interactions with Tyr102 and Tyr198, and hydro

265 that PI-PLC interacts with PC headgroups via cation-pi interactions with tyrosine residues and sugges

266 electrostatic interaction with Asp200 and/or cation/pi interactions with Tyr190.

267 binding (including the hydrogen bonding and cation-pi interactions) with the alpha7 nAChR is much st

268 control over the mechanistic pathway through cation-pi interactions, with a single proton acceptor in