ライフサイエンスコーパス: chemotype

1 of Thymus zygis, subspecies gracilis, thymol chemotype).

2 ess that has been made in this promising new chemotype.

3 t inverse agonists with a distinct isoxazole chemotype.

4 ration of the 3,4-dihydropyrimidin-2(1H)-one chemotype.

5 a mGlu5 positive allosteric modulator (PAM) chemotype.

6 llent starting point for optimization of the chemotype.

7 e C-H bonds but by the individual structural chemotype.

8 s, which are based on the indenoisoquinoline chemotype.

9 creening platform for fingerprinting of wood chemotype.

10 the structure-activity relationship of this chemotype.

11 r allosteric ligands but with a more diverse chemotype.

12 r-stage antimalarial activity in an acridone chemotype.

13 an imidazothiadiazole-based PAR4 antagonist chemotype.

14 of two key pharmacophore elements within the chemotype.

15 core instability that renders the NP a poor chemotype.

16 ide which were presented only in the carvone-chemotype.

17 whole blood assays compared to our previous chemotype.

18 d based on our lead acyclic phenyl imidazole chemotype.

19 ted common allosteric inhibition by distinct chemotypes.

20 igations exist for other hemozoin inhibiting chemotypes.

21 culosis and discovered several novel binding chemotypes.

22 ses of CXCR3 antagonists and to identify new chemotypes.

23 ontent of A. annua varieties sorted into two chemotypes.

24 d differences between species based on their chemotypes.

25 vel, yet synthetically accessible, bioactive chemotypes.

26 e method for the discrimination of the three chemotypes.

27 y accelerate the discovery of new antibiotic chemotypes.

28 with gene clusters known to encode distinct chemotypes.

29 on, and in breeding S. sclarea for desirable chemotypes.

30 cious and more potent than single inhibitory chemotypes.

31 s and biological evaluations of 13 different chemotypes.

32 igands on the basis of previously identified chemotypes.

33 less herbivory than individuals of differing chemotypes.

34 three major class I deacetylases using these chemotypes.

35 ion chemistry to produce complex, polycyclic chemotypes.

36 selectivity in the clinical Hsp90 inhibitor chemotypes.

37 d substantial activity and 8 represented new chemotypes.

38 phenomenon, widely observed across different chemotypes.

39 hop in chemical space to substantially novel chemotypes.

40 model built with reported mGlu2 receptor PAM chemotypes.

41 distinct features for binding these diverse chemotypes.

42 strates for reactions generating several new chemotypes.

43 entify additional ligands with unprecedented chemotypes.

44 determinants of binding of different ligand chemotypes.

45 imal activity against unmodified enteric LPS chemotypes.

46 ucture-based design and the discovery of new chemotypes.

47 ee type entropy (SVMtreeH), are employed for chemotyping.

48 Consequently, chemotype 1 was made with appropriate side-chains to mim

49 ere we describe a modular synthesis of a new chemotype 1, simulation of its solution-state conformati

50 n orientations of a novel hydantoin triazole chemotype (1) to protein-protein interfaces revealed it

51 Conformations of one such chemotype (1aaa; all methyl side-chains) matched several

52 So far, efforts made in the discovery of chemotypes able to target G-quadruplexes mainly succeede

53 a transformation significantly expanding the chemotypes accessible via C-H functionalization.

54 el N-acyl-triazolopiperazine NK3R antagonist chemotype achieved through bioisosteric lead change from

55 By comparing genotypes and chemotypes across all known PP gene clusters, we define

56 yrazolobenzothiazine scaffold as a promising chemotype against hepatitis C virus (HCV) NS5B polymeras

57 To identify new chemotypes against Trypanosoma brucei, previously we ide

58 Ongoing development of these multiple chemotypes, all with superior time-kill kinetics than re

59 ndole, 2-phenyl benzimidazole and pyridinium chemotypes allow for specific recognition of RNA motifs.

60 2,3-c]pyridines render this hitherto unknown chemotype an attractive class of compounds which are exp

61 loteichus hindustanus, possessing a druglike chemotype and modest iron-chelating ability.

62 the value of quinolin-4(1H)-imines as a new chemotype and their suitable properties for further drug

63 logy target Hsp90, for which we obtain novel chemotypes and a hit rate that approaches 40%.

64 esis of innovative and diverse scaffolds and chemotypes and allows access to previously unexplored "c

65 tely the binding affinity of all major Hsp90 chemotypes and has a testing range that spans low nanomo

66 CRs bound to a range of ligands of different chemotypes and pharmacological profiles.

67 very to identify new ligands with unexplored chemotypes and physical properties, leading to new biolo

68 receptor flexibility led to ligands with new chemotypes and physical properties.

69 odulation of platelet function using various chemotypes and preparations of its ligand, lipopolysacch

70 binding mode and mutation data across ligand chemotypes and receptor subtypes.

71 d biological activity with the current Hsp90 chemotypes and set the ground for the development of par

72 The ecological significance of chemotypes and the genetic mechanisms that control them

73 nts allowed us to characterize the preferred chemotypes and their binding modes.

74 a (catnip) plants representing two different chemotypes and their respective isolated nepetalactone i

75 essential oil of Thymbra capitata, carvacrol chemotype); and thymol (basal diet with 500mgg(-1) of es

76 lead follow-up confirmed the activity of the chemotype, and a structure-based design approach using p

77 es for ligands with new physical properties, chemotypes, and receptor subtype selectivities.

78 the fragments are completely new bromodomain chemotypes, and three have never before been crystallize

79 The novel chemotype APH199 (17) was found to act as a full agonist

80 zyme kinetics studies that analogues of this chemotype are noncompetitive inhibitors, and by using a

81 Attributes of these chemotypes are (i) greater rigidity than conventional pe

82 These chemotypes are electrophiles that react with GSH, and LC

83 A range of both polar and non-polar chemotypes are instantaneously detected.

84 ined properties show that covalently-binding chemotypes are not the unique arbiters of cytotoxicity a

85 with 10 new antagonist ligands from diverse chemotypes are presented, which complement the existing

86 As a consequence, novel chemotypes are urgently needed.

87 and CBDAS (which determine the drug vs. hemp chemotype) are contained within large (>250 kb) retrotra

88 n SIRT1/2/3 inhibitors, representing a novel chemotype, are significantly more potent than currently

89 itors, for example, a molecule from the same chemotype as GSK2702926A, are currently being evaluated

90 n, we report our efforts to identify a novel chemotype as one strategy to potentially circumvent safe

91 hput, cell-based screen was used to identify chemotypes as inhibitors for human respiratory syncytial

92 noncompetitive antagonists of widely diverse chemotypes assayed at 1 or 10 microM inhibited [(14)C]TE

93 nthesis pathway locus as well as a series of chemotype-associated genomic regions.

94 bananas, was analysed to assess the range of chemotypes available globally.

95 el, in vivo active, fast-acting antimalarial chemotype based on a benzimidazole core.

96 form lipoprotein (N-acyl S-monoacylglycerol) chemotype by an unknown mechanism that helps this bacter

97 eveal the pharmacological potential of novel chemotypes by diversity-oriented synthesis.

98 s new scaffold, we sought a broader range of chemotypes by docking 2.2 million fragments, which revea

99 itive bacteria of diverse peptidoglycan (PG) chemotypes by secreting the metalloprotease pseudoalteri

100 We recently proposed suitable chemotypes can be matched with interface regions directl

101 C. islandica, which has two chemotypes, can be difficult to distinguish from the sis

102 virus (HIV) drug discovery generally entails chemotypes capable of chelating two divalent metal ions

103 igh-throughput screen yielded two attractive chemotypes capable of inhibiting S1P formation in cells.

104 is an urgent need for identifying innovative chemotypes capable of modulating unexploited drug target

105 at BnREF1-suppressing seeds produced a novel chemotype characterized by reduced levels of sinapate es

106 Securing potent GT-1a activity in a chemotype class lacking overt structural liabilities was

107 wever, we found that individuals of the same chemotype communicated more effectively and experienced

108 chemical similarity networks for large-scale chemotype (consensus chemical pattern) recognition and d

109 cantly, the 6-alkylamino variant of this new chemotype consistently conferred low nanomolar inhibitor

110 arylmethyl HID analogues, previously unknown chemotypes, consistently inhibited HIV RT-associated RNa

111 diketo-acid moiety, we speculated that this chemotype could serve to develop dual inhibitors of both

112 relationships across multiple inhibitors and chemotypes, coupled with mechanistic studies and biochem

113 properties of the parent bis-phenylimidazole chemotype, culminating in the identification of the high

114 These coumarins constitute a novel chemotype defined by the presence of a chemical handle i

115 erse agonist activity by some full mGlu5 NAM chemotypes demonstrated adverse effects, including psych

116 We report a novel G4-binding chemotype derived from stiff-stilbene.

117 Overall, the new NBTI chemotype described herein, owing to the broad-spectrum

118 Up to 68% of the hits are chemotypes described for the first time as late-stage ga

119 commercially available substrates and novel chemotypes designed to address recent developments in th

120 ult, antidiabetes target can be addressed by chemotypes different from existing ligands.

121 XCR4 and how antagonist ligands of different chemotypes differentially regulate its oligomerization s

122 Of 81 new chemotypes discovered, 30 showed submicromolar activity,

123 ny derived from a cross between two Cannabis chemotypes divergent for alkyl and cyclic cannabinoids.

124 To ensure chemotype diversity, we cluster each target's ligands by

125 be characterized as belonging to one of two chemotypes, dominated by either thujone or camphor.

126 ucture of MAL3-101 generated a collection of chemotypes, each modulating Hsp70 function, but exhibiti

127 y and profiling of a new PPARgamma modulator chemotype endowed with remarkable potency and a distinct

128 The new chemotype ensued from a molecular simplification approac

129 This chemotype exhibits highly selective inhibition against A

130 report herein a critical redesign of the HPD chemotype featuring an additional wing at the C5 positio

131 Access to the tashironin chemotype fills a gap in a comparison set of convulsive

132 reen to identify compound 1 (ML351), a novel chemotype for 12/15-LOX inhibition that has nanomolar po

133 n effort to explore this novel cannabinergic chemotype for CB receptor binding affinity, in vitro and

134 Refinement of this chemotype for establishing structure-activity relationsh

135 ein, we report the identification of a novel chemotype for G9a/GLP inhibitors, based on the underinve

136 amine) complexes have been prepared as a new chemotype for potential anticancer agents.

137 covery of isoquinoline-1,3-dione as a viable chemotype for selectively inhibiting TDP2.

138 Together, our findings provide a novel chemotype for targeting canonical Wnt/beta-catenin signa

139 r affinity, indicating the potential of this chemotype for the development of further promising PET r

140 al high throughput screen identified a novel chemotype for the positive allosteric modulation (PAM) o

141 high-throughput campaigns to identify novel chemotypes for combination therapies to treat multidrug-

142 ets from our initial effort as well as three chemotypes for DHFR from M. tuberculosis are reported.

143 primary amines described here represent new chemotypes for the alpha7 and alpha3* receptor subtypes.

144 Together, we present indirubins as novel chemotypes for the development of 5-LO inhibitors, the i

145 ies that led to the discovery of 1 and other chemotypes for which resistance maps to the NS5A protein

146 he development of novel chemical phenotypes (chemotypes) for pharmaceutical end-use.

147 The discovery of a new zinc binding chemotype from screening a nonbiased fragment library is

148 This provided a novel lead chemotype from which we have designed more potent CDK2 i

149 ry of previously undescribed, in vivo active chemotypes from structure-based screens of diverse, ultr

150 P(i) was only released from a subset of LPS chemotypes harboring spontaneously labile phosphoethanol

151 crocyclization of a 6-carboxylic acid indole chemotype has yielded potent and selective finger-loop i

152 headgroup and lipophilic tail, a variety of chemotypes have been found to show S1P1 receptor agonism

153 ree novel PPAR scaffolds displaying distinct chemotypes have been identified, namely, 5-(4-(benzyloxy

154 Unfortunately, compounds containing these chemotypes have been published as screening actives in r

155 Although numerous chemotypes have been reported to inhibit HIV RNase H bio

156 s enzymatic inhibition for several prominent chemotypes identified by this HTS, including some pan-as

157 Chemotypes identified from screening have been limited a

158 es of polar extracts of carvone and linalool chemotypes, identified by GC-MS analyses of the essentia

159 egy for making multiple, diverse meroterpene chemotypes in a programmable assembly process involving

160 et prediction with respect to representative chemotypes in large (>200) compound sets, in comparison

161 udy of degraders with divergent BRD9-binding chemotypes in models of acute myeloid leukemia resolves

162 related scaffolds are among the most common chemotypes in modern drug discovery.

163 ment of BRD4 inhibitors by focusing on their chemotypes, in vitro and in vivo activity, selectivity,

164 roperties profiling of 4c and show that this chemotype inhibits the T. cruzi CYP51 enzyme, an observa

165 The particular chemotypes investigated were carboxy alkyl esters (CAE)

166 reviously reported that the 6-aminoquinolone chemotype is a privileged scaffold to obtain antibacteri

167 Interestingly, the RA chemotype is present sporadically in multiple taxa of fl

168 A potential liability with this chemotype is the formation of a reactive metabolite whic

169 of AP on a panel of structurally defined LPS chemotypes isolated from Escherichia coli and demonstrat

170 ry, is constrained by our ability to explore chemotypes; it would be expanded by orders of magnitude

171 tly needed on the full diversity of Cannabis chemotypes known to be available to the public.

172 chemical library was designed that utilizes chemotypes known to engage conserved catalytic protease

173 tographic profile pointed to three different chemotypes: linalool/eugenol, neral/geranial, and estrag

174 for automated high-throughput screening and chemotyping marijuana and hemp, as well as other botanic

175 re potently adjuvantic, suggesting that this chemotype may be a safe and effective adjuvant.

176 The discovery of this chemotype may provide a platform toward understanding TD

177 al exploration of the sulfonyl acrylonitrile chemotype may result in useful inhibitors for other memb

178 A novel chemotype of ADAM17-selective probes was discovered from

179 l structures, our SAR analysis of the common chemotype of AT-076 suggests rational approaches to modu

180 nstrated that derivative 19 represents a new chemotype of FXR modulator, whereas alcohol 6, with a si

181 A known chemotype of H(3) receptor ligand was explored for devel

182 lamino-thiazolo[5,4-d]pyrimidines as a novel chemotype of non-nucleoside partial agonists for the A2A

183 reverse transcriptase (RT) inhibitors, a new chemotype of nonhydrolyzable purine diphosphate mimic wa

184 tro and cellular characterization of a novel chemotype of potent small-molecule non-peptidic dengue p

185 hydro-1H-pyrido[4,3-b]indole core as a novel chemotype of potentiators.

186 In conclusion, our approach has led to a new chemotype of promising antiproliferative compounds with

187 inoline-6-carboxamide derivatives as a novel chemotype of selective cannabinoid CB(2) receptor agonis

188 n the discovery of a fully synthetic, potent chemotype of sigma ligands.

189 inhibitors for ATX have resembled the lipid chemotype of the native ligand; however, a small number

190 ad superior performance in enriching for the chemotype of the refinement ligand.

191 we designed and synthesized three different chemotypes of agonist/antagonist hybrids.

192 Our results show that the two chemotypes of C. islandica are clearly distinguishable f

193 Neither of them could discriminate chemotypes of C. islandica.

194 We have identified two chemotypes of CREBBP bromodomain ligands by fragment-bas

195 and a rapid in vivo screen has expanded the chemotypes of direct small-molecule inhibitors (MYCi).

196 the rapid discovery and optimization of new chemotypes of EthR ligands starting from a fragment.

197 were used to guide the identification of new chemotypes of HCV NS5B inhibitors.

198 for both indications, raising demand for new chemotypes of KOR antagonists as well as G-protein-biase

199 dentifying novel fragment-like and lead-like chemotypes of KOR ligands.

200 Infusions and decoctions of three chemotypes of Lippia alba (Mill.) N. E. Brown (Verbenace

201 ith DNA barcoding to distinguish species and chemotypes of the C. islandica species complex.

202 study tested the hypothesis that hydrophilic chemotypes of the medicinal vine Uncaria tomentosa (UT)

203 docking campaigns can find ligands with new chemotypes, often revealing the new biology that may be

204 eveals an increasingly broad set of catalyst chemotypes, operating with different mechanistic feature

205 To determine if this adverse event was chemotype- or mechanism-based, we evaluated a distinct s

206 ter-containing ('Criolla'), and intermediate chemotypes ('Pococi' and 'Silvestre').

207 tro ADME assays demonstrated that this novel chemotype possesses largely favorable physicochemical pr

208 ly disclosed in the patent literature into a chemotype previously used for the preparation of muscari

209 d has successfully identified novel distinct chemotypes primed for development as new agents against

210 A) method was used to generate the consensus chemotype profiles for each transgenic line.

211 ater-mediated receptor interactions of a new chemotype represented by fenobam.

212 We have defined the wALADin chemotypes responsible for either inhibition or stimulat

213 A phenyl dimethyl isoxazole chemotype resulting from a focused fragment screen has b

214 Resistance profiling of the chemotype revealed hot spots in conserved hydrophobic po

215 and metabolite profiles of eight opium poppy chemotypes revealed four cytochrome P-450s, three from t

216 lyl acetate; the second was characterized by chemotypes rich in cymyl-compounds, mainly carvacrol, th

217 optimization led to the discovery of a novel chemotype series exemplified by the trans racemic compou

218 development, it remains unclear if all these chemotypes share a common mechanism of action.

219 on and identification of such thiol-reactive chemotypes should accelerate triage of nuisance compound

220 The alkylation signatures of the two chemotypes show significant overlap (ca. 90 %) both qual

221 e., identifying these spectra into different chemotypes so that the pharmacological properties and cu

222 he possibility to explore the cyclic peptide chemotype space not only at the amino acid sequence but

223 ndividual signal inducers have emerged to be chemotype-specific.

224 neous, and little is known regarding the LPS chemotype substrate range of AP.

225 entially novel mode of action and a distinct chemotype support the clinical development of SC83288, a

226 ing studies suggested that this piperazinone chemotype targets the HCV nonstructural protein NS4B.

227 l composition of the constituents of L. alba chemotypes' teas.

228 may be amenable to modulation using generic chemotypes, termed "proteomimetics", which can be assemb

229 publishing a collection of 400 antimalarial chemotypes, termed the "Malaria Box".

230 the identification of a new monophosphonate chemotype that bind in an allosteric pocket of hFPPS.

231 pyrazolopyridazinones as a novel, unrelated chemotype that binds to the prenyl-binding pocket of PDE

232 Alzheimer's disease (AD) utilizes an anilide chemotype that engages a key residue (Gly230) in the BAC

233 discovery of a highly potent biarylimidazole chemotype that established a potency benchmark in replic

234 unctional profiling of the 2-aminopyrimidine chemotype that has advanced to the clinic for allergy, a

235 ilot screen of 801 compounds yielded a novel chemotype that increased the release of sAPPalpha 2-fold

236 covery of a 2-(phenoxypyridine)-3-phenylurea chemotype that inhibited ADP-mediated platelet aggregati

237 , we described a novel antimalarial acridone chemotype that is potent against both blood-stage and li

238 ch has enabled the identification of a novel chemotype that selectively targets the HIV transactivati

239 tified a novel, well-behaved molecular probe chemotype that specifically targets the RABV G protein a

240 series containing an unusual acyl guanidine chemotype that was originally synthesized as part of a 6

241 To expand the repertoire of chemotypes that activate HRI, we screened a approximatel

242 and ZMK 2-112 are also the first AgRP-based chemotypes that antagonize the MC5R.

243 rich core structures may be reorganized into chemotypes that are distinctly different from the parent

244 ing, but there are surprisingly few distinct chemotypes that are specific for SUR1-containing KATP ch

245 ning, revealed preferences in small-molecule chemotypes that bind RNA and preferences in the RNA moti

246 l trials, and preclinical discoveries of new chemotypes that bind to distinct regions in the protein

247 for rapidly and efficiently labeling various chemotypes that carry trifluoromethyl groups, thereby ex

248 d LC-MS metabolomics, revealing two distinct chemotypes that contain different levels of the alkaloid

249 und collections and potentially identify new chemotypes that could deliver the same antiparasitic pro

250 ogs, and may also lead to discovery of novel chemotypes that exploit subtle differences in protein co

251 s revealed significant differences among the chemotypes that should be taken into account in the uses

252 pologically unrelated to previously explored chemotypes-that acted as inverse agonists in a mouse mod

253 amine the inheritance of chemical phenotype (chemotype), THCAS and CBDAS genotypes were scored and al

254 developed for high-throughput screening and chemotyping the spectra from two sets of botanical extra

255 ropriate classifiers in the second stage for chemotyping the spectra, i.e., identifying these spectra

256 ied approximately 100 hits and four distinct chemotypes, the most promising of which contained the qu

257 vation by ligands representing four distinct chemotypes: the peptide dynorphin A(1-17), the arylaceta

258 of this platform toward the discovery of new chemotypes through multidimensional reaction screening.

259 This myxobacterial chemotype thus offers an interesting starting point for

260 ogues to demonstrate the amenability of this chemotype to achieving a suitable pharmacokinetic (PK) p

261 In search for a novel chemotype to develop topoisomerase I (Top1) inhibitors,

262 we identified naphthamide 3a as a different chemotype to inhibit CREB's transcription activity.

263 her expand this chemical class, adding a new chemotype to the existing classes of CFTR potentiators.

264 Plants may use chemotypes to distinguish relatives from strangers.

265 olecules, allowing for direct correlation of chemotypes to phenotypes.

266 rgely influenced by any of the ultrapure LPS chemotypes used in this study on their own except under

267 cture-based virtual screening for new ligand chemotypes using recently solved high-resolution 3D crys

268 high-affinity CXCR3 antagonists of distinct chemotypes: VUF11211 [(S)-5-chloro-6-(4-(1-(4-chlorobenz

269 utation, suggesting that the low sakuranetin chemotype was acquired more than once in cultivated rice

270 channel activity inherent within the initial chemotype was guided through modulation of physicochemic

271 tructure-activity relationship study of this chemotype was undertaken.

272 g from the physicochemical properties of the chemotype, we undertook structure based molecular design

273 ed to develop chemoselective access to boron chemotypes, we report herein the synthesis of alpha- and

274 targets, representative members of the four chemotypes were added to aggregation reactions, where th

275 Both chemotypes were confirmed with DNA barcoding to be M. sp

276 For example, new chemotypes were discovered as antagonists of various GPC

277 lyses of parents and offspring revealed that chemotypes were highly heritable.

278 Twelve distinct chemotypes were identified and briefly examined leading

279 dentate, 191 bidentate and 15 tridentate MBP chemotypes were included in MeLAD, which are linked to d

280 70 compounds that comprised the initial hit chemotypes were subsequently sourced from the full CSIRO

281 Among the most interesting chemotypes were the 5-aminosalicylates, which docked in

282 I-19), both derived from a thienopyrimidinyl chemotype, were selected to explore their antileukemic p

283 ng a selection of nonclassical CA II binding chemotypes, were identified.

284 hesized using this reaction, yielded a novel chemotype which inhibited glycolytic ATP production by b

285 rb known as 'cidreira' that presents several chemotypes which exhibit different chemical profile and

286 his pocket to generate a novel low nanomolar chemotype, which did not interact with the catalytic res

287 ave discovered a novel antimalarial acridone chemotype with dual-stage activity against both liver-st

288 pectrum allosteric antiviral and describes a chemotype with high therapeutic potential that addresses

289 esulting tricyclic compounds are interesting chemotype with natural product resemblance and may find

290 a ligand-based design strategy to identify a chemotype with optimized physicochemical properties.

291 idazol-2-amines represent a novel, alternate chemotype with pure TLR8-agonistic activities and will l

292 sisted of acyclic (linalool/linalyl acetate) chemotypes with a predominant presence of linalyl acetat

293 ope for the discovery of inhibitors from new chemotypes with alternative physicochemical, pharmacokin

294 -house compound library and identify 5 novel chemotypes with faster in vitro kill rates (<2 days) tha

295 labria to plan programs for the selection of chemotypes with new and specific uses.

296 bling the identification of new antimalarial chemotypes with novel modes of action.

297 ll biological analyses revealed two distinct chemotypes with selectivity for Tnks enzymes.

298 ates yielded the discovery of 10 new agonist chemotypes with sub-micromolar potency at MT receptors,

299 an effective tool for discovery of new lead chemotypes with therapeutically relevant functional prof

300 the BRPF1 bromodomain which resulted in six chemotypes with very favorable ligand efficiency (0.45-0