Computational study of the conformational preferences of the(R)-8-amino-pentacyclo[5.4.0.02,6.03,10.05,9] undecane-8-carboxylic acid monopeptide

2004 ◽  
Vol 10 (5) ◽  
pp. 274-284 ◽  
Author(s):  
Krishna Bisetty ◽  
Jesus Gomez-Catalan ◽  
Carlos Aleman ◽  
Ernest Giralt ◽  
Hendrik G. Kruger ◽  
...  
Keyword(s):  
Carboxylic Acid ◽  
Computational Study ◽  
Conformational Preferences

scholarly journals Grafting TRAIL through Either Amino or Carboxylic Groups onto Maghemite Nanoparticles: Influence on Pro-Apoptotic Efficiency

Nanomaterials ◽  
2021 ◽  
Vol 11 (2) ◽  
pp. 502
Author(s):  
Hanene Belkahla ◽  
Andrei Alexandru Constantinescu ◽  
Tijani Gharbi ◽  
Florent Barbault ◽  
Alexandre Chevillot-Biraud ◽  
...  
Keyword(s):  
Carboxylic Acid ◽  
Cancer Therapy ◽  
Computational Study ◽  
Carcinoma Cells ◽  
Maghemite Nanoparticles ◽  
Carboxylic Acid Groups ◽  
Lung Carcinoma Cells ◽  
Biological Studies ◽  
Apoptotic Effect ◽  
Carboxylic Groups

Tumor necrosis factor (TNF)-related apoptosis-inducing ligand (TRAIL) is a member of the TNF cytokine superfamily. TRAIL is able to induce apoptosis through engagement of its death receptors DR4 and DR5 in a wide variety of tumor cells while sparing vital normal cells. This makes it a promising agent for cancer therapy. Here, we present two different ways of covalently grafting TRAIL onto maghemite nanoparticles (NPs): (a) by using carboxylic acid groups of the protein to graft it onto maghemite NPs previously functionalized with amino groups, and (b) by using the amino functions of the protein to graft it onto NPs functionalized with carboxylic acid groups. The two resulting nanovectors, NH-TRAIL@NPs-CO and CO-TRAIL@NPs-NH, were thoroughly characterized. Biological studies performed on human breast and lung carcinoma cells (MDA-MB-231 and H1703 cell lines) established these nanovectors are potential agents for cancer therapy. The pro-apoptotic effect is somewhat greater for CO-TRAIL@NPs-NH than NH-TRAIL@NPs-CO, as evidenced by viability studies and apoptosis analysis. A computational study indicated that regardless of whether TRAIL is attached to NPs through an acid or an amino group, DR4 recognition is not affected in either case.

Vibrational spectroscopic, 1H NMR and quantum chemical computational study of 4-hydroxy-2-oxo-1,2-dihydroquinoline-8-carboxylic acid

2014 ◽  
Vol 121 ◽  
pp. 445-456 ◽  
Author(s):  
Rajeev T. Ulahannan ◽  
C. Yohannan Panicker ◽  
Hema Tresa Varghese ◽  
C. Van Alsenoy ◽  
Robert Musiol ◽  
...  
Keyword(s):  
Carboxylic Acid ◽  
1H Nmr ◽  
Quantum Chemical ◽  
Computational Study

A Solid-State NMR, X-ray Diffraction, and ab Initio Computational Study of Hydrogen-Bond Structure and Dynamics of Pyrazole-4-Carboxylic Acid Chains

2001 ◽  
Vol 123 (32) ◽  
pp. 7898-7906 ◽  
Author(s):  
Concepción Foces-Foces ◽  
Aurea Echevarría ◽  
Nadine Jagerovic ◽  
Ibon Alkorta ◽  
José Elguero ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Solid State ◽  
Carboxylic Acid ◽  
Ab Initio ◽  
Solid State Nmr ◽  
Computational Study ◽  
X Ray Diffraction ◽  
X Ray ◽  
Structure And Dynamics

Z-effect reversal in carboxylic acid associates

2016 ◽  
Vol 52 (39) ◽  
pp. 6593-6596 ◽  
Author(s):  
Michael G. Medvedev ◽  
Ivan S. Bushmarinov ◽  
Konstantin A. Lyssenko
Keyword(s):  
Carboxylic Acid ◽  
Carboxylic Acids ◽  
Stereoelectronic Effect ◽  
Conformational Preferences

The conformational preferences of carboxylic acids (Z-effect) can be reversed by H-bonding to anions due to the supramolecular stereoelectronic effect.

Conformational preferences in the β-peptide oligomers of cis-2-amino-1-fluorocyclobutane-1-carboxylic acid

2015 ◽  
Vol 39 (5) ◽  
pp. 3270-3279 ◽  
Author(s):  
Ammar Hassoun ◽  
Claire M. Grison ◽  
Régis Guillot ◽  
Thomas Boddaert ◽  
David J. Aitken
Keyword(s):  
Carboxylic Acid ◽  
Secondary Structure ◽  
Hydrogen Bonds ◽  
Conformational Preferences

These oligomers adopt a regular zig-zag strand-like secondary structure which does not rely on intra-residue 6-ring hydrogen bonds for stability.

Computational study on the conformational preferences in nateglinide

2011 ◽  
Vol 25 (8) ◽  
pp. 649-657 ◽  
Author(s):  
Vaibhav Jain ◽  
Devendra Kumar Dhaked ◽  
Yoganjaneyulu Kasetti ◽  
P. V. Bharatam
Keyword(s):  
Computational Study ◽  
Conformational Preferences

Computational study of conformational preferences of thioamide-containing azaglycine peptides

2003 ◽  
Vol 25 (2) ◽  
pp. 169-178 ◽  
Author(s):  
Ho-Jin Lee ◽  
Jong Hyun Kim ◽  
Hee Jung Jung ◽  
Kun-Young Kim ◽  
Eun-Jung Kim ◽  
...  
Keyword(s):  
Computational Study ◽  
Conformational Preferences
Sign in / Sign up

Export Citation Format

Share Document