Solution-State Conformational Study of the Hevamine Inhibitor Allosamidin and Six Potential Inhibitor Analogues by NMR Spectroscopy and Molecular Modeling

2002 ◽  
Vol 67 (18) ◽  
pp. 6328-6338 ◽  
Author(s):  
Antje Germer ◽  
Martin G. Peter ◽  
Erich Kleinpeter
Keyword(s):  
Molecular Modeling ◽  
Nmr Spectroscopy ◽  
Conformational Study ◽  
Solution State ◽  
Potential Inhibitor

scholarly journals Sugar-derived oxazolone pseudotetrapeptide as γ-turn inducer and anion-selective transporter

2019 ◽  
Vol 15 ◽  
pp. 2419-2427
Author(s):  
Sachin S Burade ◽  
Sushil V Pawar ◽  
Tanmoy Saha ◽  
Navanath Kumbhar ◽  
Amol S Kotmale ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Amino Acid ◽  
Molecular Modeling ◽  
Intramolecular Cyclization ◽  
Membered Ring ◽  
Conformational Study ◽  
Oxazole Ring ◽  
Solution State ◽  
Modeling Studies ◽  
Molecular Modeling Studies

The intramolecular cyclization of a C-3-tetrasubstituted furanoid sugar amino acid-derived linear tetrapeptide afforded an oxazolone pseudo-peptide with the formation of an oxazole ring at the C-terminus. A conformational study of the oxazolone pseudo-peptide showed intramolecular C=O···HN(II) hydrogen bonding in a seven-membered ring leading to a γ-turn conformation. This fact was supported by a solution-state NMR and molecular modeling studies. The oxazolone pseudotetrapeptide was found to be a better Cl−-selective transporter for which an anion–anion antiport mechanism was established.

A conformational study of the xyloglucan oligomer, XXXG, by NMR spectroscopy and molecular modeling

Biopolymers ◽  
2000 ◽  
Vol 54 (1) ◽  
pp. 11-26 ◽  
Author(s):  
Celine Picard ◽  
Jan Gruza ◽  
Christiane Derouet ◽  
C. M. G. C. Renard ◽  
Karim Mazeau ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Nmr Spectroscopy ◽  
Conformational Study

Study of a potential inhibitor of acetylcholinesterase using UV spectrophotometry, NMR spectroscopy and molecular modeling

2006 ◽  
Vol 19 (2) ◽  
pp. 148-156 ◽  
Author(s):  
Isabelle Correia ◽  
Nello Ronzani ◽  
Nicole Platzer ◽  
Bich-Thuy Doan ◽  
Jean-Claude Beloeil
Keyword(s):  
Molecular Modeling ◽  
Nmr Spectroscopy ◽  
Uv Spectrophotometry ◽  
Potential Inhibitor

Solution State Structure Determination of Silicate Oligomers by29Si NMR Spectroscopy and Molecular Modeling

2006 ◽  
Vol 128 (7) ◽  
pp. 2324-2335 ◽  
Author(s):  
Herman Cho ◽  
Andrew R. Felmy ◽  
Raluca Craciun ◽  
J. Patrick Keenum ◽  
Neil Shah ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Nmr Spectroscopy ◽  
Structure Determination ◽  
State Structure ◽  
Solution State

Conformational study on ribonucleoside O-phosphonylmethyl derivatives by 1H NMR spectroscopy

1985 ◽  
Vol 50 (8) ◽  
pp. 1899-1905 ◽  
Author(s):  
Milena Masojídková ◽  
Jaroslav Zajíček ◽  
Miloš Buděšínský ◽  
Ivan Rosenberg ◽  
Antonín Holý
Keyword(s):  
Nmr Spectroscopy ◽  
1H Nmr ◽  
1H Nmr Spectroscopy ◽  
Conformational Study ◽  
H Nmr ◽  
Conformational Properties

Conformational properties of ribonucleoside 5'-O-phosphonylmethyl derivatives have been determined by 1H NMR spectroscopy and compared with those of natural nucleosides and 5'-nucleotides.

Carbon-dot organic surface modifier analysis by solution-state NMR spectroscopy

2013 ◽  
Vol 15 (7) ◽  
Author(s):  
Aggelos Philippidis ◽  
Apostolos Spyros ◽  
Demetrios Anglos ◽  
Athanasios B. Bourlinos ◽  
Radek Zbořil ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Carbon Dot ◽  
Surface Modifier ◽  
Solution State

Conformational study of a strained tolanophane by dynamic 1H NMR spectroscopy and computational methods

2008 ◽  
Vol 139 (10) ◽  
pp. 1185-1189 ◽  
Author(s):  
Hossein Reza Darabi ◽  
Marjan Azimzadeh Arani ◽  
Mohsen Tafazzoli ◽  
Mina Ghiasi
Keyword(s):  
Nmr Spectroscopy ◽  
1H Nmr ◽  
Computational Methods ◽  
1H Nmr Spectroscopy ◽  
Conformational Study ◽  
Dynamic 1H Nmr
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