ライフサイエンスコーパス: noncovalent

1 /def2-SVP) have been resorted to investigate noncovalent 1:1 complexes of the fluorescent probes and

2 structurally diverse, potent, and selective noncovalent AChE1 inhibitors were discovered.

3 To elucidate the noncovalent affinity of cisplatin's family to DNA, we pe

4 graphenes and their functionalized (covalent/noncovalent) analogues find interesting properties inclu

5 lative to a common warhead scaffold, in both noncovalent and covalent binding states, and for two hig

6 Both noncovalent and covalent hits emerge from such endeavors

7 alysis studies demonstrate that PI-1840 is a noncovalent and rapidly reversible CT-L inhibitor.

8 hese results warrant further evaluation of a noncovalent and rapidly reversible proteasome inhibitor

9 Noncovalent approaches are of particular interest as the

10 pi cloud of an aryl ring-such an orthogonal, noncovalent arrangement could instead stabilize a positi

11 n mixture, micrometer-length supramolecular, noncovalent assemblies are formed.

12 These findings demonstrate that noncovalent assembly is a powerful method for generating

13 hydrogen-bonding interactions to direct the noncovalent assembly of a Re-based bimetallic supramolec

14 er, a lectin-based nanoprobe was designed by noncovalent assembly of concanavalin A (ConA) on gold na

15 e aptasensor fabrication on the basis of the noncovalent assembly of DNA aptamer on graphene-modified

16 the effective template is an eight-component noncovalent assembly.

17 This noncovalent association and their electronic and optical

18 reaction mechanism and driving forces behind noncovalent association are discussed in light of densit

19 The mode of noncovalent association depended on the cavity size of t

20 ust balance the requirements to maintain the noncovalent association of gp120 with gp41 and to evade

21 The role of cooperative effects arising from noncovalent attractive interactions as a vital factor go

22 st molecules some of the strongest synthetic noncovalent binders of halide anions measured to date, c

23 in VEGF-expressing tumor xenografts with its noncovalent binding analogs, (64)Cu-L19K-(2,4-dinitrophe

24 X-ray structural studies showed covalent and noncovalent binding between the nitrile group and the ca

25 Based on the simulations, we estimated noncovalent binding free energies through the use of Mar

26 Noncovalent binding of biopharmaceuticals to human serum

27 Stacking interactions appear to drive noncovalent binding of the gold(I) complex.

28 inus of Ubc9 that is known to be involved in noncovalent binding of the proteins in the conjugation m

29 at the tumor site in vivo, compared with its noncovalent binding peptide analogs.

30 e Sq nanoparticles to the molecular dye by a noncovalent binding process and its subsequent reaction

31 calculations also revealed that covalent and noncovalent binding states of an inhibitor do not necess

32 also discuss the conditions under which the noncovalent binding step is no longer negligible and pro

33 g) or through the colchicine end (reversible noncovalent binding).

34 eous bioimaging and target identification of noncovalent bioactive compounds in live mammalian cells,

35 ft desorption/ionization technique preserves noncovalent biospecific interactions.

36 halogen substituents and the strength of the noncovalent bonding interactions between the analyte and

37 ting their formation using various different noncovalent bonding interactions have been introduced an

38 ycol chain length has on the strength of the noncovalent bonding interactions taking place between cy

39 y using redox energy and precisely organized noncovalent bonding interactions to pump positively char

40 iffusion pathways, effected entirely through noncovalent bonding interactions, has inspired chemists

41 g affinities as a result of a combination of noncovalent bonding interactions, including face-to-face

42 The subtle interplay of noncovalent bonding interactions, resulting from the tin

43 ons are one of the most important classes of noncovalent bonding, and are seen throughout biology, ch

44 s with axial ligands is a sensitive test for noncovalent bonding.

45 single crystals as a consequence of multiple noncovalent-bonding interactions between each of the inc

46 e solid state, it has been demonstrated that noncovalent-bonding interactions with a variety of molec

47 by the strengths as well as lifetimes of the noncovalent bonds that lead to the formation of the stru

48 The second is the presence of CN...Se noncovalent bonds which show similarities to the more co

49 ibiotic spiramycin (SPI) were synthetized by noncovalent bulk polymerization technique.

50 couplings are indicative of the presence of noncovalent C-Hpi hydrogen-bond-like interactions involv

51 ino-N9-butyl-cIDPR is comparable to the best noncovalent CD38 inhibitors to date (IC50 = 3.3 muM).

52 The origins of enantioselectivity and a key noncovalent CH...O interaction responsible for transitio

53 a versatile strategy to promote an efficient noncovalent co-encapsulation of enzymes within a single

54 The results presented confirm that the noncovalent combination of supramolecular hosts with imi

55 s spectrometry (MS) is often used to monitor noncovalent complex formation between peptides and ligan

56 ptide (R3); this is achieved by subjecting a noncovalent complex of sSE + R3 to collisional activatio

57 lasma, VWF and FVIII normally circulate as a noncovalent complex, and each has a critical function in

58 s optimized using docking approaches for the noncovalent complex.

59 This noncovalent complexation approach is used to separate an

60 In this study, we demonstrate that noncovalent complexation between PE and 18-crown-6 ether

61 MOP 3 undergoes noncovalent complexation with cucurbit[n]urils to yield

62 ta sets of benchmark interaction energies in noncovalent complexes are an important tool for quantify

63 ore, using model systems, we show that these noncovalent complexes can also be fragmented by surface-

64 ge of the methods on two typical examples of noncovalent complexes drawn from a broad class of nuclei

65 as phase to obtain meaningful information on noncovalent complexes formed by intact unfractionated he

66 e applied to determine the stability of weak noncovalent complexes in their journey from bulk solutio

67 rmitted a detailed structural description of noncovalent complexes of folic acid (FA) and native cycl

68 the dissociation constants of six different noncovalent complexes, that cover interactions present i

69 ts/dyes and phenolic copigments/co-dyes form noncovalent complexes, which stabilize and modulate (in

70 ively to measure the equilibrium constant of noncovalent complexes.

71 Noncovalent conformational locks are broadly employed to

72 isselenylvinylene (DESVS), with novel Se...O noncovalent conformational locks is designed and synthes

73 n that extends to the body through a second, noncovalent connection; its movement results from flexin

74 nd address the relative lack of stability of noncovalent constructs.

75 of SCP bridges over neighboring MCPs to form noncovalent cross-links.

76 r ATPase systems showing the presence of one noncovalent dimer and four monomer subunits.

77 Noncovalent dimer formation of abundant components has n

78 Pase subunit to the adjacent unit to promote noncovalent dimer formation.

79 version of the frontier orbital model for a noncovalent dimer is used to derive guidelines for dimer

80 mass spectrometry that the recently reported noncovalent dimer of ubiquitin exhibits structural prefe

81 Although noncovalent dimers and trimers of this protein are readi

82 receptor dimerization: the DDRs form stable noncovalent dimers in the absence of ligand, and ligand-

83 s of melanins are influenced by covalent and noncovalent disorder.

84 By use of a noncovalent double mutant (T790M/L858R and T790M/del746-

85 Herein we describe how a noncovalent double mutant selective lead compound was op

86 probe can be used as a competitor to develop noncovalent drug candidates.

87 are classified according to the mechanism of noncovalent drug loading involving hydrophobic and elect

88 ntly, while faster release was observed with noncovalent encapsulation, higher loading capacity and s

89 In contrast, noncovalent ensembles derived from expanded porphyrins,

90 rs relying on reactivity to achieve potency, noncovalent enzyme-inhibitor complex partitioning betwee

91 There are a number of selective, noncovalent ERK1/2 inhibitors reported along with the pr

92 nd interactions in the gas phase, permitting noncovalent ESI-IMS-MS analysis of MPs from the two majo

93 bility similar to that of WT FrdA, contained noncovalent FAD, and displayed a reduced capacity to int

94 ver, this antibody utilized the same type of noncovalent forces for formation of complexes with gp120

95 erging these singular chemical structures by noncovalent forces has provided a large number of unprec

96 In contrast, soluble and noncovalent formats efficiently elicited anti-His tag an

97 es, such as homodimerization in covalent and noncovalent forms.

98 UVPD also generated noncovalent fragment ions containing a portion of the pr

99 Tables with typical values for single noncovalent free energies and polarity parameters are in

100 balances by NMR spectroscopy indicates that noncovalent functional-group interactions with an arene

101 ion, sulfonation, grafting, polymer coating, noncovalent functionalization and nanoparticle attachmen

102 drophobic surface into a hydrophilic one via noncovalent functionalization by HA, which in turn affec

103 uronic acid (HA) hydrogels that form through noncovalent guest-host interactions, undergo disassembly

104 Noncovalent halogen bonding interactions are explored as

105 apocytochromes (e.g. c2) tightly until their noncovalent heme-containing b-type cytochrome-like inter

106 at constant physiological conditions due to noncovalent hetero-dimerization between the C and P doma

107 led integrin alpha4beta1) is a transmembrane noncovalent heterodimer overexpressed in melanoma tumors

108 subunit and a unique beta-subunit, that form noncovalent heterodimers.

109 extensively to prepare several covalent and noncovalent heteroporphyrin-based multiporphyrin arrays.

110 and Identification of Intact Glycopeptides", noncovalent homo- and heterodimers were mis-identified a

111 The recently reported noncovalent homodimer (ncUbq) is expected to have greate

112 Formation of noncovalent homodimers and heterodimers can also occur.

113 uct-related variants, including covalent and noncovalent homodimers of half antibodies (hAbs), may be

114 is described, which undergoes facile in situ noncovalent immobilization onto a carbon cloth electrode

115 Our most potent noncovalent inhibitor exhibits three times improved cell

116 e, we describe DPLG3, a rationally designed, noncovalent inhibitor of the immunoproteasome chymotrypt

117 The reversible, noncovalent inhibitors described complement the covalent

118 Noncovalent inhibitors of AChE1, such as the ones presen

119 he side chains were synthesized as potential noncovalent inhibitors of PAD enzymes.

120 Therefore, noncovalent inhibitors that are less toxic and more effe

121 ided design was used to generate a series of noncovalent inhibitors with nanomolar potency against th

122 Noncovalent interaction (NCI) analysis showed that a ser

123 pported by quantum chemical calculations and noncovalent interaction analysis.

124 calculations confirm the occurrence of these noncovalent interaction and suggest that the interaction

125 Mimicking noncovalent interaction based processes in nature has be

126 Chalcogen bonding is the noncovalent interaction between an electron-deficient, c

127 ion constraints of halogen bonding (XB), the noncovalent interaction between an electrophilic halogen

128 lanar geometry is realized through the F...H noncovalent interaction between CPDT and DFB for DF-PCIC

129 olecular arrangements of the key segment and noncovalent interaction between the fluoro group and the

130 efining the affinity of inhibitors through a noncovalent interaction called the halogen bond or X-bon

131 energy and reaction preorganization (through noncovalent interaction in the encounter complex).

132 pan molecular balances demonstrates that the noncovalent interaction of a hydroxy group with pi-defic

133 f drug action that relies on the reversible, noncovalent interaction of a ligand with its biological

134 high enantioselectivity by strengthening the noncovalent interaction of the substrate hydroxyl group

135 As a consequence of this noncovalent interaction, a global absolute screw sense p

136 e substrate, a ubiquitous type of attractive noncovalent interaction, is seldom accounted for in the

137 oxygen atom of the ester carbonyl group via noncovalent interaction, which provides an unprecedented

138 del system to study the complex interplay of noncovalent interactions (e.g. electrostatic, van der Wa

139 ree dimensional nanotubular porous layer via noncovalent interactions (hydrophobic forces and hydroge

140 Molecules featuring different kinds of noncovalent interactions (namely, hydrophobic, ion pairi

141 This idea was rationalized by a theoretical noncovalent interactions (NCI) analysis.

142 Noncovalent interactions (NCI) and topological analysis

143 A combined study of noncovalent interactions (NCIs) and electron localizatio

144 perimental results suggest possible roles of noncovalent interactions (NCIs) in directing the NT; com

145 In the field of noncovalent interactions a new paradigm has recently bec

146 ng the ability of the FT-ICR to maintain the noncovalent interactions and efficiently transmit labile

147 ractions through CF...S, CF...H, and CF...pi noncovalent interactions and enhance electron mobility,

148 ions was immobilized on carbon nanotubes via noncovalent interactions and further deposited on glassy

149 hasizes the modulating effect of the ions on noncovalent interactions and the importance of carefully

150 ggest that the secondary coordination sphere noncovalent interactions are critical in stabilizing thi

151 Noncovalent interactions are used as a sacrificial netwo

152 Furthermore, with reconfigurable, noncovalent interactions at nanomaterial interfaces, the

153 Recent experiments on noncovalent interactions at the nanoscale have challenge

154 modifications of the power laws that govern noncovalent interactions at the nanoscale.

155 The relative strength of noncovalent interactions between a thioether sulfur atom

156 dulating the topology of a framework and the noncovalent interactions between component types, a find

157 Noncovalent interactions between molecules are key for m

158 Noncovalent interactions between reactants and the catal

159 cture of one such inhibitor reveals specific noncovalent interactions between the 1,2,4-triazole acti

160 stabilizing a transition state determined by noncovalent interactions between the alpha2 helix of Ubc

161 Based on noncovalent interactions between the capsule and the sub

162 ns, highlight the existence of a set of weak noncovalent interactions between the catalyst and substr

163 rtemisinate develop the same network of weak noncovalent interactions between the electron donor grou

164 ates is then controlled through a network of noncovalent interactions between the squaramide catalyst

165 esise molecules and our understanding of the noncovalent interactions between these molecules, the ch

166 we have thermodynamically characterized the noncovalent interactions between Trx and target proteins

167 directed functionalization approach in which noncovalent interactions between untethered residues hav

168 t DFT calculations and identification of the noncovalent interactions by coupled ELF/NCI analysis.

169 iveness with which suitable templates and/or noncovalent interactions can arrange building blocks has

170 ein complexes while minimizing disruption of noncovalent interactions critical for stabilizing confor

171 his approach eliminates the need to maintain noncovalent interactions during electrophoresis and faci

172 nterplay between covalent bond formation and noncovalent interactions has become increasingly relevan

173 nd activating substrates through attractive, noncovalent interactions has emerged as an important app

174 ving protein backbone bonds while preserving noncovalent interactions has made it especially suitable

175 gy analogues, underscoring the importance of noncovalent interactions in enantio- and diastereocontro

176 This study uncovers the role of weak noncovalent interactions in influencing the molecular co

177 s, a critical overview is given on essential noncovalent interactions in synthetic supramolecular com

178 rate-protein interactions, thereby affecting noncovalent interactions in the cell wall or at the inte

179 d two [3]rotaxanes provides insight into the noncovalent interactions in these systems.

180 Moreover, these weak noncovalent interactions influence which saccharide resi

181 t mimics this ability to translate selective noncovalent interactions into reversible conformational

182 and results allowed us (i) to highlight the noncovalent interactions involved in the binding event i

183 leads to a degree of competition between the noncovalent interactions involved.

184 owever, good accuracy for the description of noncovalent interactions is required.

185 The balance between attractive noncovalent interactions juxtaposed with repulsive steri

186 Cooperation between the two distinct noncovalent interactions leads to an unusual effect on r

187 In this review, noncovalent interactions of ions with neutral molecules

188 available thermodynamic information for the noncovalent interactions of metal cations with a host of

189 localization, activity, or RNA binding; and noncovalent interactions of RNA-binding proteins with po

190 Noncovalent interactions of SLX4 with ubiquitin are requ

191 ception of the Oheteroarene interaction, all noncovalent interactions of sulfur with pi systems are f

192 cles covers QMC applications to systems with noncovalent interactions over the last three decades.

193 Noncovalent interactions play a pivotal role in a variet

194 Noncovalent interactions play a ubiquitous role in the s

195 These cooperative noncovalent interactions provide efficient binding betwe

196 as well as underexplored strong directional noncovalent interactions such as halogen-bonding and ani

197 cal pathways encompasses the coordination of noncovalent interactions that bring biomolecules to be c

198 ature proteins is predicated on establishing noncovalent interactions that direct the self-assembly o

199 wn lipid-binding molecules primarily rely on noncovalent interactions to achieve lipid selectivity.

200 The introduction of new noncovalent interactions to build functional systems is

201 The use of noncovalent interactions to direct transition-metal cata

202 design and synthesis are needed to optimize noncovalent interactions to improve target-selective bin

203 To advance their utility, we use noncovalent interactions to incorporate the biological c

204 We show that noncovalent interactions with associated benzene rings (

205 r clustering and downstream signalling using noncovalent interactions with engineered Arabidopsis Cry

206 mH)2](2+) and human serum albumin occurs via noncovalent interactions with K(b) = 9.8 x 10(4) mol(-1)

207 d that the activity of E6AP is controlled by noncovalent interactions with ubiquitin and allosteric a

208 folding of a protein in solution depends on noncovalent interactions within the protein and those wi

209 titatively studied to systematically explore noncovalent interactions without the need to isolate eac

210 ocess with molecular self-assembly driven by noncovalent interactions, and dynamic assemblies are the

211 s of negative cooperativity, or "frustrated" noncovalent interactions, as a source of potential energ

212 pproaches in terms of their ability to model noncovalent interactions, especially in the context of d

213 l charge-assisted aliphatic and aromatic C-H noncovalent interactions, i.e., significant downfield sh

214 While the canonical noncovalent interactions, including hydrogen bonding, io

215 s suggest that a series of weak, attractive, noncovalent interactions, including interactions of H-bo

216 that a series of more favorable cooperative noncovalent interactions, namely, hydrogen bond, pi-stac

217 lied to derive binding increments for single noncovalent interactions, start with the evaluation of c

218 We identified additional noncovalent interactions, which allowed us to develop me

219 lation as they readily engage in reversible, noncovalent interactions.

220 mparts stability through H-bonding and other noncovalent interactions.

221 al methods to identify weak protein-fragment noncovalent interactions.

222 its advances and adaptations to systems with noncovalent interactions.

223 ct selectivity can be achieved with few weak noncovalent interactions.

224 atalyst-substrate association involves weak, noncovalent interactions.

225 E2A viral genome replication domains through noncovalent interactions.

226 t still bound to the ligand via retention of noncovalent interactions.

227 ymes to achieve diastereoselectivity through noncovalent interactions.

228 rks of amino acid residues connected through noncovalent interactions.

229 tate of a robust protein shell assembled via noncovalent interactions.

230 ass spectrometry is a valuable tool to probe noncovalent interactions.

231 mode of binding based on polar and nonpolar noncovalent interactions.

232 with anions through these different kinds of noncovalent interactions.

233 nding) has attracted notable attention among noncovalent interactions.

234 tructure and function is dependent on myriad noncovalent interactions.

235 components hierarchically organized through noncovalent interactions.

236 Weak noncovalent intermolecular interactions play a pivotal r

237 l environment through reversible, selective, noncovalent intermolecular interactions.

238 e that EXPB1 loosens grass CWs by disrupting noncovalent junctions between highly substituted GAX and

239 tion in Nrf2 activation than the most active noncovalent Keap1 inhibitor known to date.

240 Binding of the noncovalent ligand induces a proton transfer from the ca

241 Noncovalent ligands have been found to form only interac

242 her was functionalized with biotin to form a noncovalent link with the streptavidin functionalized AF

243 tentially longer-term in vivo instability of noncovalent linkage of the trimers to the liposomes.

244 aptured HIV-1 Env glycoprotein trimers via a noncovalent linkage with improved efficacy over soluble

245 ble trimers and liposome-bearing trimers via noncovalent linkages.

246 e presence of CB[8], which acts as a "soft", noncovalent linker between metal/terpyridine complexes,

247 Noncovalent mass spectrometry (MS) is emerging as an inv

248 nanodiscs by combining cell-free expression, noncovalent mass spectrometry, and NMR spectroscopy.

249 ial light-driven sodium or proton pump, with noncovalent mass-spectrometric, electrophysiological, an

250 affinity of the overall cluster, providing a noncovalent method of tuning fullerene electronics.

251 Approaches based on covalent and noncovalent methodologies have been tested to realize st

252 onally derivatize the nanotube surface using noncovalent methods.

253 made from single-walled carbon nanotubes by noncovalent modification with cobalt meso-arylporphyrin

254 ppend functionality to biopharmaceuticals by noncovalent modification with other molecules or polymer

255 ion process, typically used to stabilize the noncovalent monolayer, can also be used to selectively d

256 Manipulating the size and shape of noncovalent multivalent assemblies is an ongoing challen

257 ic cleavage peptides on the one hand and the noncovalent nature of the protein-lipid interaction on t

258 functional synthetic model for studying the noncovalent networks (NCNs) required for complex protein

259 The conjugate increases the degree of noncovalent oligomerization upon enzymatic dephosphoryla

260 nhibitors have many clinical advantages over noncovalent or irreversible covalent drugs.

261 These reagents effectively act as noncovalent, or traceless, chiral auxiliaries.

262 small organic molecule that organizes into a noncovalent organic framework with large empty pores.

263 teresting aspects of conformational bias and noncovalent organization.

264 t have not yet been realized in bifunctional noncovalent organocatalysis.

265 iers with drug attached by both covalent and noncovalent pathways.

266 aneous detection of mixtures of covalent and noncovalent products.

267 t Eap molecules constitute a unique class of noncovalent protease inhibitors that occlude the catalyt

268 ting crystals of transient and heterogeneous noncovalent protein assemblies.

269 extends the application of PS ionization to noncovalent protein complexes on an ion mobility tandem

270 SID provides structural information on noncovalent protein complexes that is complementary to o

271 ng intermediates and higher charge states of noncovalent protein complexes, including those of holomy

272 Native mass spectrometry seeks to probe noncovalent protein interactions in terms of protein qua

273 ations to reveal the details of covalent and noncovalent protein interactions that link the outer mem

274 t by visualizing the spatial distribution of noncovalent protein interactions within tissue.

275 g and regulatory pathways rely on reversible noncovalent protein-ligand binding, yet the equilibrium

276 -dimensional (2D) protein arrays mediated by noncovalent protein-protein interfaces.

277 Load distribution is especially important to noncovalent receptor-ligand bonds, because they become e

278 ilizing a combination of chemical probes and noncovalent reconstructions, we draw new specific conclu

279 for >5750 LacI/GalR mutational variants, and noncovalent residue contact networks for 65 LacI/GalR ho

280 ing this rich data resource, we compared the noncovalent residue contact networks of the LacI/GalR su

281 ine-based lead 7 has led to the discovery of noncovalent reversible and selective human factor D (FD)

282 for the generation of the first known potent noncovalent reversible Factor D inhibitors.

283 nzyme kinetic studies indicated that AQs are noncovalent, reversible inhibitors of DprE1 with slow on

284 dification of therapeutic proteins affords a noncovalent route to modify its properties, improving pr

285 This finding demonstrates the importance of noncovalent secondary coordination sphere interactions i

286 e center and demonstrating the importance of noncovalent secondary sphere interactions in stabilizing

287 These findings demonstrate that noncovalent self-assembly can modulate the catalytic pro

288 On the basis of the previous discovery of a noncovalent small-molecule inhibitor of transglycosylase

289 Here we demonstrate the encapsulation and noncovalent stabilization of organic radical anions by C

290 th clear efficacy enhancement resulting from noncovalent stabilization of the A2 domain.

291 These results demonstrate that noncovalent stabilization of the FVIII A2 subunit can pr

292 ond formation, degenerate bond exchange, and noncovalent stacking processes.

293 polymers with sufficient solubility and the noncovalent sulfur-oxygen interaction affords polymers w

294 cal modification is described that relies on noncovalent, supramolecular host-guest interactions to e

295 y 0.3 kcal/mol stabilization compared to the noncovalent, tightly bound antagonist-GPCR complex of io

296 romethylene group in CPP-115, resulting in a noncovalent, tightly bound complex.

297 Therefore Me(2+) ions can influence the noncovalent transitions that occur during each nucleotid

298 WP1 requires the presence of a low-affinity, noncovalent Ub-binding site within the HECT domain.

299 Noncovalent van der Waals (vdW) or dispersion forces are

300 ex with functional properties similar to the noncovalent wild-type complex.

301 Combining ultrastable noncovalent with irreversible covalent interaction, SpyA