ライフサイエンスコーパス: structure-based drug design

1 ture of ligand binding, thereby facilitating structure based drug design.

2 outline some of the approaches used in GPCR structure based drug design.

3 cally stable triazolopyrazine scaffold using structure based drug design.

4 ther, the data open exciting new avenues for structure-based drug design.

5 discovery of potent PAK inhibitors guided by structure-based drug design.

6 h proteins that contain flexible regions for structure-based drug design.

7 gnificant challenge of central importance to structure-based drug design.

8 al methods is one of the major challenges in structure-based drug design.

9 s for understanding protein function and for structure-based drug design.

10 of protein-ligand interactions can expedite structure-based drug design.

11 medicinal chemistry principles coupled with structure-based drug design.

12 d in a disease state) is a necessary step in structure-based drug design.

13 minimum and have important implications for structure-based drug design.

14 cant ramifications for scoring functions and structure-based drug design.

15 ctures to incorporate protein flexibility in structure-based drug design.

16 er physiological conditions is important for structure-based drug design.

17 to improve the throughput and efficiency of structure-based drug design.

18 modes is necessary to serve as the basis for structure-based drug design.

19 y suggesting it as an important platform for structure-based drug design.

20 urfaces represents an innovative paradigm in structure-based drug design.

21 he workings of HPPK and should be useful for structure-based drug design.

22 nd validation, virtual ligand screening, and structure-based drug design.

23 because of obvious practical applications in structure-based drug design.

24 reveal two pockets that could be targeted by structure-based drug design.

25 applied SIFt to tackle three common tasks in structure-based drug design.

26 account for inherent protein flexibility in structure-based drug design.

27 d available effective computational tools of structure-based drug design.

28 bind to a particular target, for example in structure-based drug design.

29 making this enzyme an attractive target for structure-based drug design.

30 igand complexes is an essential component in structure-based drug design.

31 rm for optimization of this lead compound by structure-based drug design.

32 cers and represent important targets for the structure-based drug design.

33 ecular association/recognition processes and structure-based drug design.

34 s for the future and feasibility of receptor structure-based drug design.

35 finity), a fact that is exploited to support structure-based drug design.

36 ise an important class of enzyme targets for structure-based drug design.

37 and specificity forms the starting point for structure-based drug design.

38 the potential of electron cryomicroscopy for structure-based drug design.

39 in refolding and presents a novel target for structure-based drug design.

40 es of potent and selective Cif inhibitors by structure-based drug design.

41 structure-activity relationship analysis and structure-based drug design.

42 actions and mechanisms, and it is applied to structure-based drug design.

43 ovided by Pharmit simplifies and accelerates structure-based drug design.

44 rtant for protein function determination and structure-based drug design.

45 advancing to compound 41 through the use of structure-based drug design.

46 ew putative pockets that can be targeted via structure-based drug design.

47 o AT(1)R structure-function relationship and structure-based drug design.

48 ators has been identified using rational and structure-based drug design.

49 evolution from a de novo design hit based on structure-based drug design.

50 cules into receptors is an essential tool in structure-based drug design.

51 We present our approach based on de novo structure-based drug design.

52 luate potential inhibitors as a platform for structure-based drug design.

53 ne fibrils and open future possibilities for structure-based drug design.

54 uristatins and serves as a valuable tool for structure-based drug design.

55 se, and the results provide a foundation for structure-based drug design.

56 ThrRS) inhibitors have been identified using structure-based drug design.

57 east KMO-UPF 648 structure as a template for structure-based drug design.

58 t into mPGES-1 flexibility and potential for structure-based drug design.

59 esented here provide a useful foundation for structure-based drug design.

60 e to some general observations applicable to structure-based drug design: (1) altering the structure

61 Via structure-based drug design, a new series of MPO inhibit

62 Utilizing structure-based drug design, a novel dihydropyridopyrimi

63 Structure-based drug design, a terminology used to descr

64 r molecules in protein-ligand binding and to structure-based drug design aimed at incorporating these

65 ific substituted-pyrimidine scaffold using a structure-based drug design and a pseudo ring replacemen

66 The method of structure-based drug design and a specific example of th

67 ghput screening for lead identification, and structure-based drug design and combinatorial chemistry

68 ion of the lead compound, relying heavily on structure-based drug design and computational prediction

69 utions higher than 3 A is a prerequisite for structure-based drug design and for cryoEM to become wid

70 This work was done using a combination of structure-based drug design and in vitro/ex vivo evaluat

71 ptimized with assistance from utilization of structure-based drug design and ligand bound X-ray cryst

72 selective high-throughput screening hit via structure-based drug design and medicinal chemistry lead

73 ch progress in structural biology, genomics, structure-based drug design and molecular evolution.

74 Through structure-based drug design and optimization, macrocycli

75 r analog, CB3717, which has implications for structure-based drug design and sheds light on the contr

76 Guided by structure-based drug design and supported by NMR experim

77 unogenic comparisons with EV71 to facilitate structure-based drug design and vaccine development.

78 ding of disease-causing mutations, precluded structure-based drug design, and hampered in silico inve

79 screening and subsequent optimization using structure-based drug design, and parallel medicinal chem

80 boxanilides was constructed using methods of structure-based drug design, and was implemented synthet

81 This methodology has facilitated structure-based drug design applied to GPCRs because it

82 ized for potency and selectivity employing a structure based drug design approach adhering to the pri

83 Further optimization using structure-based drug design approach resulted in discove

84 We have used a structure-based drug design approach to identify small m

85 A structure-based drug design approach using a pseudo-ring

86 t 2 in the BACE1 active site and by use of a structure-based drug design approach, we methodically ex

87 Utilizing a structure-based drug design approach, we modified paroxe

88 nolines as dual Top1-TDP1 inhibitors using a structure-based drug design approach.

89 azine derivatives have been identified using structure based drug design approaches as antagonists of

90 It is widely recognized that application of structure-based drug design approaches can help medicina

91 ate the use of structural information and of structure-based drug design approaches in the discovery

92 e performed via a combination of ligand- and structure-based drug design approaches, leading to pyrid

93 Employing structure-based drug design approaches, we methodically

94 uzi CYP51 (TcCYP51) has been developed using structure-based drug design as well as structure-propert

95 unless dynamic information is incorporated, structure-based drug design becomes of limited applicabi

96 their biological targets is fundamental for structure-based drug design but remains a very challengi

97 a shortcut to medicine allowing for rational structure-based drug design, but may also capture snapsh

98 ne needs to know its active site; to conduct structure-based drug design by regulating the function o

99 In the course of a GRK2 structure-based drug design campaign, one inhibitor (CCG

100 Incorporation of these strategies into structure-based drug design can minimize vulnerability t

101 Structure-based drug design can potentially accelerate t

102 Structure-based drug design combined with homology model

103 Although in structure-based drug design competitive inhibitors are u

104 An important step in structure-based drug design consists in the prediction o

105 r the kinetic stabilization strategy and the structure-based drug design effort that led to this firs

106 was successfully used as part of a rational structure-based drug design effort to improve the ITK po

107 n the enzyme and these inhibitors to aid the structure-based drug design effort.

108 odes of membrane binding may be exploited in structure-based drug design efforts for cancer therapy.

109 namics of functional selectivity, and fueled structure-based drug design efforts for GPCRs.

110 The structure-based drug design efforts identified a unique

111 These data provide a starting point for structure-based drug design efforts towards the identifi

112 ibitor complexes provide insight for further structure-based drug design efforts.

113 gonists to use this information to guide our structure-based drug design efforts.

114 n are established and form the basis for our structure-based drug design efforts.

115 Altogether, these data offer information for structure-based drug design, elucidate flexible regions

116 easurements against HSP90 and application of structure-based drug design enabled rapid hit to lead pr

117 These studies underscore the usefulness of structure-based drug design for generating potent and sp

118 Herein we disclose the use of property and structure-based drug design for the optimization of high

119 ructure opens up an excellent opportunity of structure-based drug design for this fast acting and ext

120 ss B receptors, providing an opportunity for structure-based drug design for this receptor class and

121 Structure-based drug design has been a proven approach o

122 veraging synthetically enabled chemistry and structure-based drug design has resulted in a highly pot

123 Most of the techniques used in structure-based drug design have experienced significant

124 To utilize structure-based drug design, human urokinase was re-engi

125 ceptor flexibility must be incorporated into structure-based drug design in order to portray a more a

126 gue SAR, peptide mimetics substitutions, and structure-based drug design in the discovery of inhibito

127 itors could also serve as lead compounds for structure-based drug design, in particular as components

128 hods to incorporate protein flexibility into structure-based drug design is an important challenge.

129 Structure-based drug design is an integral part of moder

130 Structure-based drug design is an iterative process, fol

131 al X-ray crystallography and NMR methods for structure-based drug design is described that enables th

132 Structure-based drug design is frequently used to accele

133 The main complicating factor in structure-based drug design is receptor rearrangement up

134 A key component to success in structure-based drug design is reliable information on p

135 izing biochemical and cell-based assays, and structure-based drug design is reported.

136 y to success for computational tools used in structure-based drug design is the ability to accurately

137 Structure-based drug design is underway to inhibit the S

138 Using structure-based drug design, lipophilic efficiency, and

139 Using innovative structure-based drug design methodologies, we report the

140 A major challenge in the application of structure-based drug design methods to proteins belongin

141 Many structure-based drug design methods utilize such heurist

142 le-4-carboxylic acid (JNJ-42041935), through structure-based drug design methods.

143 were designed using a combination of protein structure-based drug design, molecular modeling, and str

144 igned that utilized a combination of protein structure-based drug design, molecular modeling, and str

145 m of topoisomerase action and a platform for structure-based drug design of a new class of antibacter

146 e topologies presented here may also aid the structure-based drug design of a new generation of ALK i

147 Furthermore, structure-based drug design of CA IX inhibitors so far h

148 unculin core as a potential focus for future structure-based drug design of chemotherapeutics against

149 These findings could facilitate the rational structure-based drug design of new GCPII inhibitors in t

150 These results are expected to facilitate the structure-based drug design of new IDO inhibitors.

151 These data provide a foundation for structure-based drug design of specific inhibitors for t

152 tly no structure publicly available to guide structure-based drug design of specific inhibitors.

153 ation of NTP binding can directly facilitate structure-based drug design of these targets.

154 ences compared to human ACE, suggesting that structure-based drug design offers a fruitful approach t

155 , and the application of new methods such as structure-based drug design, phage display and surface s

156 Contour technology is a structure-based drug design platform that generates mole

157 n PRC2 inhibitors through establishment of a structure-based drug design platform.

158 n on these highly conserved active sites and structure based drug design principles, a benzoylaminobe

159 hemical lead is evolved during the iterative structure-based drug design process, metabolomics can pr

160 Guided by an iterative structure-based drug design process, we have prepared an

161 As part of our structure-based drug design program, we have determined

162 est in the utility of these structures for a structure-based drug design program.

163 stal structures, and leading to a successful structure-based drug design project for this important i

164 Herein, a structure-based drug design protocol was employed aimed

165 Structure-based drug design relies on static protein str

166 Incorporating X-bonding into structure-based drug design requires computational model

167 In addition, structure based drug design resulted in the preparation

168 on of peptide structure-activity studies and structure-based drug design, resulting in analogues with

169 pyridine scaffold through the combination of structure-based drug design, SAR studies, and metabolite

170 e also taken advantage of the combination of structure based drug design (SBDD) to guide the optimiza

171 ified using parallel synthetic chemistry and structure-based drug design (SBDD) and has advanced into

172 Structure-based drug design (SBDD) and polymer-assisted

173 hibitors of plasmepsin using two strategies: structure-based drug design (SBDD) and structure-based v

174 Structure-based drug design (SBDD) guided by structural

175 By utilizing structure-based drug design (SBDD) knowledge, a novel cl

176 h diverse ligands impedes the application of structure-based drug design (SBDD) programs directed to

177 Structure-based drug design (SBDD), synthesis, enzymolog

178 ctive covalent ERK1/2 inhibitors informed by structure-based drug design (SBDD).

179 we identify anti-VEEV agents using in silico structure-based-drug-design (SBDD) for the first time, c

180 id assembly inhibition and should facilitate structure-based drug design strategies.

181 aling pathways), and for developing rational structure-based drug-design strategies.

182 We used a structure-based drug design strategy that begins from an

183 A structure-based drug design strategy was used to optimiz

184 By using a structure-based drug design strategy, we discovered a se

185 ies of analogues of the original hit using a structure-based drug design strategy, which was enabled

186 To aid in structure-based drug design studies against toxoplasmosi

187 damental biological interest and relevant to structure-based drug design studies for antiviral compou

188 ts into subunit assembly and a framework for structure-based drug design targeting RNR.

189 are orally active factor Xa inhibitors using structure-based drug design techniques and molecular rec

190 This paper introduces a new strategy for structure-based drug design that combines high-quality d

191 Structure-based drug design, the bioavailability and pha

192 In computational structure-based drug design, the scoring functions are t

193 igands is a prerequisite for many aspects of structure-based drug design, this is a serious limitatio

194 s was the successful application of rational structure-based drug design to address bromodomain selec

195 face involved in polymerization for rational structure-based drug design to block polymer formation.

196 We report the use of structure-based drug design to create a selective erbB-1

197 We have used combinatorial chemistry and structure-based drug design to develop a potent and subt

198 We further validated the pathway by using structure-based drug design to develop a series of novel

199 m a screening campaign and optimized through structure-based drug design to give hydantoin 13.

200 genase structures that could be exploited by structure-based drug design to identify leads for novel

201 virtual screening (VS) of libraries and for structure-based drug design to identify novel agonist or

202 al structure of T. foetus HGXPRTase, we used structure-based drug design to identify several non-puri

203 maps range from an aid in manual docking and structure-based drug design to their use in pharmacophor

204 studies underscore the feasibility of using structure-based drug design to transform a mediocre lead

205 o biological function and facilitates future structure-based drug design toward Rv3802.

206 Structure-based drug design traditionally uses static pr

207 Structure-based drug design using crystallography, confo

208 Subsequent structure-based drug design using X-ray crystal structur

209 Structure-based drug design was employed to optimize for

210 Structure-based drug design was performed to design comp

211 Structure-based drug design was used to guide the optimi

212 Structure-based drug design was utilized to achieve low

213 elucidate the details of the active site for structure-based drug design, we crystallized a natural s

214 By structure-based drug design, we generated an orally acti

215 Additionally, using structure-based drug design, we have been able to exploi

216 Using structure-based drug design, we have designed novel pote

217 Using molecular modeling as a tool for structure-based drug design, we have discovered that the

218 PH domain with the objective of carrying out structure-based drug design, we modeled the three-dimens

219 ster of A beta will be a tempting target for structure-based drug design when high-resolution structu

220 udies underscore the efficiency of combining structure-based drug design with combinatorial chemistry

221 CA II, and this underlines the importance of structure-based drug design with this enzyme and other i