ライフサイエンスコーパス: polar group

1 ated with the central ring, is the preferred polar group.

2 ordered water molecules depends on the lipid polar group.

3 urn being driven by interactions between non-polar groups.

4 an indirect consequence of the burial of non-polar groups.

5 ting waters become influenced by neighboring polar groups.

6 lf-assembly of derivatives bearing different polar groups.

7 amatically, except those rings with multiple polar groups.

8 ynamic cost of stripping water away from the polar groups.

9 ure of the solvent-accessible cluster of non-polar groups.

10 lly reduces the number of buried unsatisfied polar groups.

11 at are mixtures of charged, hydrophobic, and polar groups.

12 ironment" suitable to the transfer herein of polar groups.

13 the solvation enthalpies of the nonpolar and polar groups.

14 ity, DOX facilitates water transport via its polar groups.

15 ond partners for these otherwise unsatisfied polar groups.

16 e zeolite and favoring the interactions with polar groups.

17 olubility was enhanced with incorporation of polar groups.

18 esulting in an energetic penalty for burying polar groups.

19 g their lipid-contacting side chains to more polar groups.

20 ake of structural water around polar and non-polar groups.

21 r the penalty of desolvation of the backbone polar groups.

22 an exclude water from interacting with helix polar groups, according to calculations of water-accessi

23 design via side-chain functionalization with polar groups allows manipulation of ion transport and io

24 Here, we probe how the location of these polar groups along the transmembrane helices affect thei

25 s headgroup at the level of the phospholipid polar group and its terminal methyl group near the bilay

26 hobic interactions, solvent accessibility to polar groups and intrinsic backbone conformational prefe

27 ifunctional materials containing a series of polar groups and substituents.

28 dratic function of the number of unsatisfied polar groups, and can be computed very rapidly.

29 their large hydrophobic steroid nucleus and polar groups are amphipathic molecules.

30 structure only if a sufficient number of non-polar groups are clustered around the backbone hydrogen

31 ding, ionic interactions, and dehydration of polar groups are identified to be key contributions to t

32 steric clashes are not introduced and buried polar groups are not left without a hydrogen bond partne

33 n though the structural perturbations of the polar groups are small, they are very near the redox sit

34 tion of the Schiff base with the surrounding polar groups are the means by which the absorbed energy

35 A two-stage method is developed in which polar groups arranged in geometries suitable for water p

36 isozyme inhibition pointed to the side-chain polar groups as strongly influencing inhibition, with th

37 LmP has more polar groups (Asp and His) along the pathway compared wi

38 ign and illustrate the role of complementing polar groups associated with buried and surface position

39 In addition, the presence of a polar group at least 11 atoms away from the urea carbony

40 ng step for propagation, in the absence of a polar group at the chain end.

41 The results suggest that: (1) a polar group at the P1 position can contribute a large fa

42 rchers are instead enticed to attach charged polar groups at inhibitor scaffolds to improve solubilit

43 Polar groups at the 3-position such as amino 5, alkylami

44 Furthermore, the results suggest that polar groups at the 9 or 10 position of the CPT A ring f

45 protein-DNA complex removes both charged and polar groups at the binding interface from solvent while

46 esult from dehydration of both polar and non-polar groups at the interface and release of counterions

47 Current models describe aromatic rings as polar groups based on the fact that benzene and hexafluo

48 with water in the unfolded protein, and that polar group burial makes a substantial contribution to p

49 ials of mean force (PMFs) between amino acid polar groups, calculated from explicit solvent free ener

50 erfaces have a higher content of charged and polar groups compared to large interfaces.

51 , whereas at position 115, both aromatic and polar groups contribute to affinity.

52 ency to bind organic species possessing some polar groups decorating largely hydrophobic scaffolds.

53 Thus, the membrane location of polar groups depends strongly on the details of their ch

54 ty, while those containing basic, acidic, or polar groups did not.

55 Elucidating the polar group direction will shed light on the mechanism b

56 lipid-facing interface, whereas charged and polar groups display the highest partitioning energy.

57 omycin, which only differ by their ring-I 6'-polar group, drive subunit rotation in opposite directio

58 cule to interact simultaneously with several polar groups (due to their proximity).

59 ly small structural perturbation by a single polar group (F, CN, NO(2), NH(2)) results in isomorphous

60 n a product with a strong interaction of the polar group for the growing polymer chain with the metal

61 on burial can be compensated if these buried polar groups form hydrogen bonding.

62 drogen bonding interactions and shielding of polar groups from and near-complete exposure of hydropho

63 A microenvironment made up of catalytic polar groups (glutamate in antibody 34E4 and lysine in h

64 solvent accessibility (H148G) and to modify polar groups (H148Q, E222Q) near the chromophore.

65 Some compounds with side chain polar groups had particularly high affinities.

66 ment systems indicate that proximal nonionic polar groups have pronounced effects on hydrophobic inte

67 llowing: hydrocarbon tail/polar group/spacer/polar group/hydrocarbon tail.

68 magnitude of the effect depends strongly on polar group identity.

69 s, amines, zwitterionic compounds, and other polar groups, imparting lipophilicity to the parent comp

70 ermodynamic penalty arising from burial of a polar group in a hydrophobic pocket that forms part of t

71 ocking suggested its hydrogen bonding with a polar group in a small heterodimer partner homology mode

72 ne group between the piperidine ring and the polar group in the 3alpha-substituent dramatically impro

73 The structure revealed a "polar group in"-binding mode of 15mPGD(2) contrasting th

74 ps are qualitatively different from those of polar groups in low-molecular-mass compounds.

75 ume) and increased rotational freedom of the polar groups in polar nano regions.

76 Abundant polar groups in polyurea can redistribute the Li-ion flu

77 gen bonding partnerships with several buried polar groups in the core of the protein.

78 chains of the interaction between water and polar groups in the helix backbone for the following rea

79 ding, and restriction of motional freedom of polar groups in the interface, also reflect the differen

80 ct requirement for both cationic and anionic polar groups in the ligand, whereas the presence of a li

81 (ii) Burial of polar groups in the non-polar interior of a protein is h

82 nd hydrogen bonds must be made to the buried polar groups in the peptide backbone(1-3).

83 the surface involves hydrogen bonds between polar groups in the peptide with silanol and siloxide gr

84 ariants we conclude that: (i) packing of non-polar groups in the protein interior is favorable and is

85 eplacing the 3beta-hydroxy group with larger polar groups in the same configuration enhances inhibito

86 h nonpolar groups in the drug placed next to polar groups in the target.

87 en bonding and van der Waals interactions of polar groups in the tightly packed interior of folded pr

88 t of terminal alkyl groups with the terminal polar groups in this set.

89 mly bind to TMD layers or graphene to expose polar groups in water, facilitating the effective exfoli

90 for the stabilization, between the sugar and polar groups in, for example, proteins and phospholipids

91 rophobic effect, and solvation of accessible polar groups) in modulating the stability of DNA structu

92 dergo favorable interactions with additional polar groups, including other ion pairs.

93 modified ligands, including the ligands with polar groups incorporated in the N-alkyl substituent (3e

94 and lacking any possibility for ligation or polar group interactions with the surrounding protein, t

95 models highlight that the number of proximal polar groups is a key determinant of hydrophobicity and

96 Water structuring around apolar and polar groups is an important factor in their differentia

97 polar interaction between water and peptide polar groups is entirely enthalpic, as shown by amide tr

98 on between the protein backbone and osmolyte polar groups is more favorable than the corresponding in

99 gh the antibiotic contains a large number of polar groups, its interaction with these macromolecules

100 ement of two OH groups in curcumin with less polar groups like methoxy increases its anti-proliferati

101 1,3-Disubstituted ureas with a polar group located on the fifth atom from the carbonyl

102 potency and hERG inhibition increased, while polar groups lowered potency, without significantly impa

103 In aqueous solution, polar groups make hydrogen bonds with water, and hence b

104 For this reason, buried "unsatisfied" polar groups making no hydrogen bonds are very rare in p

105 group identity than is size, with charged or polar groups most often occupying the same face, whereas

106 c group (mu1-N434F, mu1-N434W, mu1-N434Y), a polar group (mu1-N434C), or a negative charge (mu1-N434D

107 y, ionization state, and ability to position polar groups near the bilayer surface (snorkeling).

108 ose from the crystal structures, because the polar groups near the redox site are the main determinan

109 chment, costs for partial desolvation of the polar group next to the protein-solvent interface are di

110 avoring in this way further contact with the polar group of membrane lipids.

111 d moiety at the C-terminus was replaced by a polar group of similar size or by a hydrophobic group of

112 The preorganization of the polar groups of enzymes is the key catalytic factor, and

113 o, irradiation may change the orientation of polar groups of gelatin at the film surface and crosslin

114 The polar groups of L-phenylalanine at the surface transitio

115 ly compared with the ionization state of the polar groups of molecules residing in the bulk environme

116 that DMSO molecules do not interact with the polar groups of the lipid headgroup, but exhibit a prefe

117 bonding at the expense of II-type bonding by polar groups of the protein.

118 f ordered waters whose positions overlap the polar groups of the sugar substrate.

119 The presence of a propargylic polar group (OH, OR, SAr, SO(2)Ar, or NHTs), in combinat

120 is a consequence of the deletion causing the polar group on the arginine at the trpA23 site to be pul

121 effect of the reorganization of the protein polar groups on charge-charge interaction and the corres

122 larized MC is sensitive to interactions with polar groups on solvents and G-actin; the average absorp

123 stigated the effect of incorporating various polar groups on the ether function on the inhibition pot

124 hore and the transfer of a proton to Asp-85, polar groups on the protein are able to interact more st

125 analogues of our lead series that contained polar groups on the right-hand side of the thiazolone.

126 sions but also by solvating both charged and polar groups on Z-DNA more favorably than B-DNA.

127 design studies, including the presence of a polar group opportunely spaced from an aromatic ring in

128 e placement of the guanidinium moieties near polar groups or bulk water.

129 "-binding mode of 15mPGD(2) contrasting the "polar group out"-binding mode of PGE(2) in its receptor

130 d because its truncated tail with a terminal polar group points into the interface.

131 ed a large oval pocket that contains several polar groups positioned to accommodate the amphipathic c

132 Stationary phases with embedded polar groups possess several advantages over conventiona

133 f the hydrogel, which mimic the phospholipid polar groups present on the surface of many cell membran

134 We explore how two nonionic polar groups (primary amine and primary amide) influence

135 bonding model of water, it is proposed that polar groups promote the formation of the low density ic

136 system or a cyclohexyl ring substituted with polar groups provided potent wild-type HIV-1 MIs that al

137 Proper incorporation of rings and polar groups resulted in the identification of TUG-2099

138 This is in contrast to the effect of polar groups seen previously in small molecules and amin

139 s terminated in nonpolar n-alkyl groups, and polar groups selected from common polar organic groups,

140 e C-terminal helix are replaced with neutral polar groups (Ser), the unexpected temperature dependenc

141 egative enthalpy of hydration of the exposed polar groups should decrease the helix-stabilizing entha

142 in sequence) the following: hydrocarbon tail/polar group/spacer/polar group/hydrocarbon tail.

143 ngs, sterol side chain structure, and sterol polar group structure.

144 nvolves the location of an oxygen-containing polar group such as a hydroxyl or carbonyl separated by

145 In addition, urea-ether inhibitors having a polar group such as diethylene glycol or morpholine sign

146 In reactions involving polar groups, such as alkylations of phenoxide ions or S

147 Polar groups, such as in Mu-IPI (4) and Tf-IPI (3), affo

148 Twelve uncharged polar groups (-T = CN, CO2CH3, CF3, OCH3, N(CH3)2, CON(C

149 lged beta-strands, strained loops and buried polar groups--that arise in proteins from evolutionary s

150 chemical structure, and it is possible for a polar group to locate both at shallow and deep locations

151 n, in such cases, be obtained by attaching a polar group to the leaving fragment and designing an act

152 vation costs associated with the addition of polar groups to an inhibitor must be overcome by stronge

153 ibe the design and exploration of new buried polar groups to control coiled-coil dimerization.

154 emperature the enthalpic contribution of non-polar groups to the stabilization of the alpha-helix is

155 nzylidine cyclohexanone derivatives with non-polar groups, to see if they possess increased anti-canc

156 ) The destabilizing effect of dehydration of polar groups upon burial can be compensated if these bur

157 efined by a large enthalpy of dehydration of polar groups upon burial.

158 t, consistent with the solvation of some non-polar groups upon helix unfolding.

159 We strategized to mask the polar groups via a prodrug approach, increasing the like

160 the question of whether steric occlusion of polar groups via beta-branching is an effective, yet unt

161 In this work, the polar group vibrations in the surface region are identif

162 iosulfinate which contains a newly generated polar group was also confirmed to be of the GAP chemistr

163 While the introduction of polar groups was effective in reducing hERG binding affi

164 Introduction of polar groups was required in order to generate inhibitor

165 In parallel, polar groups were introduced into the Im7 hydrophobic co

166 ificity; as such, the effects of charged and polar groups were the focus of this study.

167 r the development of molecular dirotors with polar groups whose amphidynamic nature will allow for th

168 s largely from short-range interactions with polar groups within the pocket, rather than long-range i

169 ic recognition motif that cannot accommodate polar groups without disruption.

170 ws that MoO(2) grafting consumes rGO surface polar groups, yielding a more hydrophobic surface.