Design, synthesis, and conformational analysis of 3-cyclo-butylcarbamoyl hydantoins as novel hydrogen bond driven universal peptidomimetics

2018 ◽  
Vol 16 (4) ◽  
pp. 521-525 ◽  
Author(s):  
M. C. Bellucci ◽  
M. Frigerio ◽  
C. Castellano ◽  
F. Meneghetti ◽  
A. Sacchetti ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Molecular Modeling ◽  
Conformational Analysis ◽  
Secondary Structures ◽  
Nmr Studies ◽  
Design Synthesis ◽  
X Ray ◽  
Α Helix

3-cyclo-Butylcarbamoyl hydantoins are able to mimic α-helix and β-turn secondary structures as assessed by molecular modeling, NMR studies, and X-ray analysis.

scholarly journals Conformational analysis of phloroglucinols from hypericum Brasiliense by using x-ray diffraction and molecular modeling

2010 ◽  
Vol 21 (5) ◽  
pp. 837-841 ◽  
Author(s):  
Kátia Z. Leal ◽  
Julliane D. Yoneda ◽  
Eric B. Lindgren ◽  
Carlos B. Pinheiro ◽  
Arthur L. Corrêa ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Conformational Analysis ◽  
X Ray Diffraction ◽  
X Ray

scholarly journals Design, Synthesis, and Conformational Analysis of Oligobenzanilides as Multifacial α-Helix Mimetics

2019 ◽  
Vol 21 (12) ◽  
pp. 4433-4438 ◽  
Author(s):  
Theo Flack ◽  
Charles Romain ◽  
Andrew J. P. White ◽  
Peter R. Haycock ◽  
Anna Barnard
Keyword(s):  
Conformational Analysis ◽  
Design Synthesis ◽  
Helix Mimetics ◽  
Α Helix

Cyclic peptides from the ascidian Lissoclinum patella: conformational analysis of patellamide D by x-ray analysis and molecular modeling

1989 ◽  
Vol 54 (14) ◽  
pp. 3463-3472 ◽  
Author(s):  
Francis J. Schmitz ◽  
Mohamad B. Ksebati ◽  
James S. Chang ◽  
J. L. Wang ◽  
M. Bilayet Hossain ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Conformational Analysis ◽  
Cyclic Peptides ◽  
X Ray ◽  
Lissoclinum Patella

Conformational analysis of 14-hydroxymodhephene by NMR, x-ray diffraction and molecular modeling studies

2003 ◽  
Vol 41 (12) ◽  
pp. 1021-1025 ◽  
Author(s):  
Benito Reyes-Trejo ◽  
Martha S. Morales-Ríos ◽  
E. Celina Alvarez-Cisneros ◽  
Pedro Joseph-Nathan
Keyword(s):  
Molecular Modeling ◽  
Conformational Analysis ◽  
X Ray Diffraction ◽  
X Ray ◽  
Modeling Studies ◽  
Molecular Modeling Studies

Neue Untersuchung über Inhaltsstoffe aus Aloe- und Rhamnus-Arten, XIII [1] / A New Investigation on Constituents of Aloe and Rhamnus Species, XIII [1]

1991 ◽  
Vol 46 (4) ◽  
pp. 551-557 ◽  
Author(s):  
Hans W. Rauwald ◽  
Karsten Lohse ◽  
Jan W. Bats
Keyword(s):  
Molecular Modeling ◽  
Carbon Atom ◽  
Conformational Analysis ◽  
Force Field ◽  
Structure Analysis ◽  
Modeling Method ◽  
Force Field Calculations ◽  
X Ray ◽  
Naturally Occurring ◽  
Structural Analogues

Rhamnus purshianus D. C., 10-Hydroxyaloins A/B, Oxanthrone Glucosyls, Quinonoids, AnthranoidsThe absolute configurations of the diastereomeric 10-hydroxyaloins, which may be regarded as parent structures for other naturally occurring oxanthrone-C-glucosyls, have been established as 10R, 16 R (A) and 10 S, 16 R (B) by an X-ray structure analysis of the A-octaacetyl derivative (C 16 is the anomeric glucosyl carbon atom). The determination was confirmed by CD spectroscopic comparison with the structural analogues aloins A and B, which should prove useful for making future configurational assignments within this class of compounds. A conformational analysis by the use of a molecular modeling method based on force-field calculations reveals the presence of an extra- and an intra-form, the extra-form of which is energetically preferred.

Diethyl 2-Benzimidazol-1-ylsuccinate–Picric Acid (1/1) – An Inclusion Molecular Complex

1997 ◽  
Vol 53 (6) ◽  
pp. 961-967 ◽  
Author(s):  
P. Zaderenko ◽  
M. S. Gil ◽  
P. López ◽  
P. Ballesteros ◽  
I. Fonseca ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Molecular Complex ◽  
Picric Acid ◽  
X Ray Diffraction ◽  
Nmr Studies ◽  
X Ray ◽  
H Nmr ◽  
Intramolecular Hydrogen ◽  
C Nmr

The crystal structure of the diethyl 2-benzimidazol-1-ylsuccinate–picric acid (1/1) molecular complex has been determined by X-ray diffraction analysis. Diethyl 2-benzimidazol-l-ylsuccinate molecules form channels along the a axis, in which the picric acid molecules are located. The benzimidazole moiety and the phenol group are held together by hydrogen bonding between the hydrogen of the phenol and the N3 atom of benzimidazole. Additionally, this hydrogen forms an intramolecular hydrogen bond with one O atom of the ortho-nitro group, thus producing a bifurcated hydrogen bond. 1H NMR spectra in DMSO-d 6 solution and CP/MAS solid 13 C NMR studies of this 2-benzimidazol-1-ylsuccinate–picric acid (1/1) molecular complex, as well as those of dimethyl, diethyl, di-n-butyl and 1-n-butyl-4-ethyl 2-imidazol-1-ylsuccinates, diethyl 2-pyrazol-1-ylsuccinate, ethyl imidazol-1-ylacetate, ethyl pyrazol-1-ylacetate and ethyl pyrazol-l-ylsuccinate, suggest that the picric acid linkage depends on the nature of the azole. Actual proton transfer is deduced for the imidazole derivatives, but only weak hydrogen bonding could be inferred for pyrazole derivatives.

Design, Synthesis, and Conformational Analysis of Trispyrimidonamides as α-Helix Mimetics

2014 ◽  
Vol 79 (4) ◽  
pp. 1582-1593 ◽  
Author(s):  
Lukas Spanier ◽  
Emanuele Ciglia ◽  
Finn K. Hansen ◽  
Krystina Kuna ◽  
Walter Frank ◽  
...  
Keyword(s):  
Conformational Analysis ◽  
Design Synthesis ◽  
Helix Mimetics ◽  
Α Helix
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