ライフサイエンスコーパス: rational drug design

1 s from distant proteins is a major hurdle to rational drug design.

2 These findings offer a foundation for rational drug design.

3 binding site with important consequences for rational drug design.

4 ing residues in p66 as a possible target for rational drug design.

5 ntermediates may offer new opportunities for rational drug design.

6 itions is a prerequisite for structure-based rational drug design.

7 of melanoma cells that can be exploited for rational drug design.

8 l provide a general, powerful pathway toward rational drug design.

9 on contributes to leukemia, is important for rational drug design.

10 ecular species of a ligand and in associated rational drug design.

11 euronal proteins that could be exploited for rational drug design.

12 y studies, thereby suggesting strategies for rational drug design.

13 the wealth of information being generated in rational drug design.

14 cross-talk provide valuable insight towards rational drug design.

15 on in real time, can be effectively used for rational drug design.

16 -cycle and presents an attractive target for rational drug design.

17 remains an important outstanding problem in rational drug design.

18 he innovative use of new screening tools and rational drug design.

19 xcellent example of progress in the field of rational drug design.

20 t also the identification of new targets for rational drug design.

21 ids by small molecules which is the basis of rational drug design.

22 provide insight into novel methodologies for rational drug design.

23 e without access to the traditional tools of rational drug design.

24 studies of structure-function relations and rational drug design.

25 hat modulate behavior, providing targets for rational drug design.

26 ntial of the method in aiding the process of rational drug design.

27 2 offers a detailed structural blueprint for rational drug design.

28 modulation of the AhR functionality and for rational drug design.

29 adverse events is an important step towards rational drug design.

30 High-resolution structures may aid rational drug design.

31 h inhibitors have remained unclear, impeding rational drug design.

32 ly assist in functional characterization and rational drug design.

33 oma (HNSCC) poses a significant challenge to rational drug design.

34 T3 and provide a framework for GAT3-targeted rational drug design.

35 c pockets facing the lipid bilayer, enabling rational drug design.

36 orasib has renewed interest in covalency for rational drug design.

37 cantly enhanced its efficiency, facilitating rational drug design.

38 croscopy with y-secretase, ultimately aiding rational drug design.

39 on activation need to be elucidated to allow rational drug design.

40 heir functions, and suggest a new avenue for rational drug design.

41 essor in HNSCC, presenting opportunities for rational drug design.

42 This finding will inform future rational drug design.

43 the urgent need for new methods that enable rational drug design.

44 roviding a mechanistic blueprint for further rational drug design.

45 d drug modulation of alpha7, key pillars for rational drug design.

46 loop receptors to facilitate structure-based rational drug design.

47 the interaction provide a starting point for rational drug design.

48 ed by the lack of structural information for rational drug design.

49 VAN and AR as well as attractive targets for rational drug design.

50 ivity, thus providing a template for further rational drug design.

51 te that could be exploited in the process of rational drug design.

52 dual waters and how they may be exploited in rational drug design.

53 ng to receptors provides insights useful for rational drug design.

54 f protein structures of suitable quality for rational drug design.

55 and inhibitor sensitivity, which may inform rational drug design.

56 ich serves as a promising starting point for rational drug design.

57 APP amyloid inhibitors, and this has limited rational drug design.

58 pocket residues, which could be critical for rational drug design.

59 halogen bonds for molecular recognition and rational drug design.

60 tivity of bexarotene can be achieved through rational drug design.

61 ities for diagnosis, drug repositioning, and rational drug design.

62 nt for understanding biological function and rational drug design.

63 ts and should be taken into consideration in rational drug design.

64 ding networks that can greatly contribute to rational drug design.

65 vity, sequence-specific HSP recognition, and rational drug design.

66 d lyase catalytic capabilities and assist in rational drug design.

67 n structures provide a valuable resource for rational drug design.

68 tein flexibility is important, especially in rational drug design.

69 holesterol assisted by tools associated with rational drug design.

70 nnel open, a question that is fundamental to rational drug design.

71 a surface cavity identified as a target for rational drug design.

72 interference, represents a new paradigm for rational drug design.

73 w structural and functional data will inform rational drug design.

74 ilies of K(+) channels with implications for rational drug design.

75 simulated and observed structures should aid rational drug design.

76 receptor signaling states and for initiating rational drug design.

77 By use of rational drug design, a targeted covalent inhibitor 3 (C

78 d disease-causing mutations, and a means for rational drug design against cardiovascular disease and

79 mation presented will be relevant for future rational drug design against these targets and will lead

80 peractive mutant could serve as a target for rational drug design aimed at repressing SloR-mediated v

81 Our results can help to facilitate rational drug design aiming in the treatment of Lm defic

82 s, we provide crucial insights to help guide rational drug design, allowing precise tailoring of inhi

83 of the biochemistry of trypanosomatids make rational drug design an attractive approach, but targets

84 e been identified by serendipity rather than rational drug design and are not ideal because of limite

85 understanding in this area and have enabled rational drug design and chemical screening strategies.

86 the established approach helps to facilitate rational drug design and clinical trial design for small

87 ncluding rationale and lessons to learn; (4) rational drug design and development; and (5) consensus

88 al, represents a promising lead compound for rational drug design and discovery.

89 click-chemistry products may prove useful in rational drug design and drug optimization.

90 ase etiology, early detection and diagnosis, rational drug design and improved clinical care-may elud

91 entary molecular tool to hydrogen bonding in rational drug design and in material sciences.

92 proteins is pivotal to achieving success in rational drug design and in other biotechnological endea

93 ystal structures sets serious limitations to rational drug design and in silico searches for subtype-

94 Pharmacophores are widely used for rational drug design and include those based on receptor

95 se the available starting scaffolds for both rational drug design and library selection methods.

96 e structures for some applications including rational drug design and molecular docking and motivates

97 r current work highlights the further use of rational drug design and molecular modeling to produce a

98 The structures are then used for rational drug design and optimization.

99 positional candidates, and the prospects for rational drug design and personalized medicine.

100 vide a foundation for applications including rational drug design and protein engineering.

101 Our results indicate that integrating rational drug design and supramolecular nanochemistry ca

102 In silico-guided rational drug design and synthesis led to potent isoxazo

103 We describe an in silico-guided rational drug design and the synthesis of the suggested

104 invasion by the malaria parasite and aid in rational drug design and vaccines.

105 ce in identifying drug targets, facilitating rational drug design, and enabling bioengineering applic

106 Molecular recognition is the basis of rational drug design, and for this reason it has been ex

107 creening and computer-aided, structure-based rational drug design, and identify a lead compound, SP-1

108 A rational drug design approach started from the identific

109 modification and will aid a structure-guided rational drug design approach to treating multidrug-resi

110 soxazole-based anti-TB compounds by applying rational drug design approach.

111 We propose that these data may aid in rational drug design approaches and further development

112 hallenge for assessing their utility is that rational drug design approaches require foreknowledge of

113 This perspective focuses on rational drug design approaches to modulate AO-mediated

114 rties, enabling additional possibilities for rational drug design approaches.

115 of novel inhibitors through structure-aided rational drug design approaches.

116 Implications for in particular, rational drug design, are discussed.

117 high-affinity site opens the possibility for rational drug design based on linking and modifying it a

118 iological outcomes and raise the prospect of rational drug design based upon spatiotemporal manipulat

119 sma gondii represents a promising target for rational drug design, because it can create intracellula

120 High-resolution structures are essential for rational drug design, but only a few are available due t

121 drug design, a terminology used to describe rational drug design by complementing the structure, spa

122 eloped two novel templates, 3 and 4, through rational drug design by identifying the key pharmacophor

123 Such methods can complement rational drug design by providing thorough understanding

124 These results have implications in rational drug design by specifically targeting the aroma

125 resistance may not be completely avoidable, rational drug design can and should incorporate strategi

126 Our experimental approach suggests that rational drug design can develop new rexinoids with impr

127 These results demonstrate how rational drug design can improve in vivo specificity, wi

128 The de novo approach to structure-based rational drug design can provide a powerful tool for sug

129 Using rational drug design coupled with traditional screening

130 rstanding of BTV transcription and hindering rational drug design effort targeting this essential enz

131 sented here, it will be possible to initiate rational drug design efforts around this natural product

132 d reverse genetics methods paves the way for rational drug design efforts to inhibit viral RNA synthe

133 Such methods, which are critical to rational drug design, fall into two categories: physics-

134 nderstanding this pathway fully will lead to rational drug design for allergic disease.

135 This could open a new direction into rational drug design for amyloidogenic proteins.

136 ks an identified parasite target to catalyze rational drug design for engineering out human host acti

137 Rational drug design for G protein-coupled receptors (GP

138 Our results indicate that rational drug design for GPCR targets is a feasible appr

139 oinsufficiency in humans will be amenable to rational drug design for improved seizure control and co

140 ptide in a serpin and provides the basis for rational drug design for mimetics that will prevent poly

141 hat MAD-28 can now be used as a template for rational drug design for NEET Fe-S cluster-destabilizing

142 Our work has implications for rational drug design for nicotinic receptors and sheds l

143 isozymes and serves as an initial step in a rational drug design for NOS.

144 ing as direct therapeutics and as a tool for rational drug design for Parkinson's disease.

145 nd ALK kinase domains will facilitate future rational drug design for ROS1- and ALK-driven NSCLC and

146 ds and provides additional opportunities for rational drug design for the treatment of associated neu

147 nction of Hsp90 remain unanswered, hampering rational drug design for the treatment of cancers, neuro

148 ntly revealed common features that may allow rational drug design for therapeutic intervention.

149 th potential to interact with M1 will aid in rational drug design for these disorders.

150 known inhibitor activity data and can inform rational drug design for this important antibiotic targe

151 e the dominant effector mechanism in driving rational drug designs for next-generation immunotherapie

152 discussed is application of the algorithm to rational drug design from a new development platform.

153 ment of nonpeptide fusion inhibitors through rational drug design has been hampered by the limited ac

154 Unfortunately, the use of computational rational drug design has been limited by the challenges

155 Rational drug design has iteratively improved the qualit

156 Rational drug design has reduced morbidity and mortality

157 some of the CYP51 key features important for rational drug design have remained obscure.

158 the GM-CSF signaling pathway as a target for rational drug design in JMML.

159 phasis on providing a possible framework for rational drug design in order to develop future isoform-

160 alpha1-antitrypsin as a potential target for rational drug design in order to prevent polymer formati

161 The first agent to emerge from such a rational drug design is azatoxin, a hybrid drug that fus

162 A unifying principle of rational drug design is the use of either shape similari

163 In conclusion, rational drug design led to a compound combining improve

164 tability, but additionally opens avenues for rational drug design, mimicking the compensatory mutatio

165 Modern rational drug design not only deals with the search for

166 no Sec7 domain interaction and may guide the rational drug design of competitive inhibitors of Arno e

167 rystallography is a very useful tool for the rational drug design of enzyme inhibitors.

168 s study provides precise information for the rational drug design of small molecule inhibitors for th

169 These structures provide a foundation for rational drug design of small molecule inhibitors to be

170 ith continuing advances in biotechnology and rational drug design, offer substantial hope for the con

171 Our results provide a basis for rational drug design on FPRs.

172 Rational drug design or small molecule screening are eff

173 creening of our in-house library followed by rational drug design, organic synthesis, and biological

174 strategy, which reverses the target --> lead rational drug design paradigm.

175 ape of oligomerization may provide hints for rational drug design, preventing amyloid-associated dise

176 urther optimization as part of the iterative rational drug design process.

177 Structural studies are part of a rational drug design program aimed at inhibiting the S10

178 te, which assists in functional analysis and rational drug-design programmes.

179 are relevant in vivo would be valuable in a rational drug design project.

180 at alchemical free energy methods can assist rational drug design projects.

181 for mutagenesis experiments and, thus, focus rational drug design, protein engineering, and functiona

182 hould help focus structure-function studies, rational drug design, protein engineering, and functiona

183 rigorous design of new drugs using tools of rational drug design remains one of the most sought stra

184 ffinity of a lead molecule in the context of rational drug design remains uncertain.

185 bility of novel therapeutics, it complicates rational drug design, since the in vivo response to a bi

186 portance for studies of enzymatic reactions, rational drug design, small-molecule binding to proteins

187 rsity, early PSMA inhibitors evolved through rational drug design starting from the neurotransmitter

188 zon1107 peptide could provide a scaffold for rational drug design strategies for allosteric nAChR mod

189 luable insight into PKC specificity and into rational drug design strategies for PKC selective leads.

190 o become templates for the creation, through rational drug design strategies, of pharmaceuticals high

191 Using medicinal chemistry and rational drug design strategies, we identify a 2-phenyl-

192 he results demonstrate the potential of this rational drug design strategy for developing new CNS-act

193 TbBILBO1-NTD, which may provide a basis for rational drug design targeting BILBO1 to combat T. bruce

194 tudy should greatly assist future efforts in rational drug design targeting DNA-PKcs, demonstrating t

195 CEACAM1 binding mode, and paves the way for rational drug design targeting Fn in CRC.

196 ave the way for future mechanistic study and rational drug design targeting hSOAT1 and other mammalia

197 Rational drug design targeting ion channels is an exciti

198 ignaling, which will be important for future rational drug design targeting PC1.

199 ygenated lipids, and PAF remain the focus of rational drug design targets given their established rol

200 Rational drug design that optimizes preferential effecto

201 dimers, and have important implications for rational drug design that targets these receptors.

202 ture is a problem of paramount importance in rational drug design (the "docking" problem).

203 However, to efficiently guide rational drug design, the binding site of BQCA needs to

204 XPRTase), and could provide a good model for rational drug design through specific enzyme inhibition.

205 To address these unmet needs, we used rational drug design to combine the pharmacophores of DY

206 f NALCN, our findings lay the foundation for rational drug design to develop NALCN modulators with re

207 ncorporation and can provide information for rational drug design to help combat ASFV in the future.

208 on inside the cell and therefore incorporate rational drug design to impact antibiotic uptake.

209 Together, these insights provide avenues for rational drug design to modulate the activities of these

210 tion mutagenesis, chemical modification, and rational drug design to obtain higher potency and select

211 drug residence time should be emphasized in rational drug design to overcome the kinase resistance.

212 This pocket may provide a target for rational drug design to prevent the formation of polymer

213 enic polypeptides, providing information for rational drug design to treat IAPP induced beta-cell dea

214 Rational drug design, to affect complex processes such a

215 The present findings should facilitate rational drug design toward precise modulation of the en

216 A recent trend toward more rational drug design was observed.

217 Rational drug design was pioneered in de novo purine bio

218 Through rational drug design we have developed topobexin, which

219 To aid rational drug design, we determined a neutron structure

220 Using rational drug design, we developed a series of NMII inhi

221 These structures provide a foundation for rational-drug design, which may lead to the development

222 ation have been refined and implications for rational drug design with halogens further discussed.

223 These results provide exciting new ideas for rational drug design with RNA as is now common with DNA