Using physical chemistry to differentiate nicotinic from cholinergic agonists at the nicotinic acetylcholine receptor

AL Cashin, EJ Petersson, HA Lester… - Journal of the …, 2005 - ACS Publications
The binding of three distinct agonists acetylcholine (ACh), nicotine, and epibatidine to the
nicotinic acetylcholine receptor has been probed using unnatural amino acid mutagenesis …

Na+, Mg2+, and Zn2+ Binding to All Tautomers of Adenine, Cytosine, and Thymine and the Eight Most Stable Keto/Enol Tautomers of Guanine:  A Correlated ab …

M Kabelac, P Hobza - The Journal of Physical Chemistry B, 2006 - ACS Publications
Interactions of adenine, cytosine, guanine, and thymine with Na+, Mg2+, and Zn2+ cations
were studied using an approximate resolution of identity correlated second-order MP2 (RI …

Probing the activity of diguanylate cyclases and c-di-GMP phosphodiesterases in real-time by CD spectroscopy

V Stelitano, A Brandt, S Fernicola… - Nucleic acids …, 2013 - academic.oup.com
Bacteria react to adverse environmental stimuli by clustering into organized communities
called biofilms. A remarkably sophisticated control system based on the dinucleotide 3 …

Binding of metals to purine N7 nitrogen atoms and implications for nucleic acids: a CSD survey

F Leonarski, L D'Ascenzo, P Auffinger - Inorganica Chimica Acta, 2016 - Elsevier
Understanding the structure and function of RNA and DNA systems depends partly on our
comprehension of the binding features of metal ions to nucleobases. Such knowledge is …

Infrared absorption detection of metal ion-deoxyguanosine monophosphate binding: experimental and theoretical study

V Andrushchenko, P Bour - The Journal of Physical Chemistry B, 2009 - ACS Publications
Metal ion interactions with nucleic acids attract attention because of the environmental and
biological consequences. The formation of the complex is often monitored by the vibrational …

Role of backbones on the interaction of metal ions with deoxyribonucleic acid and peptide nucleic acid: A DFT study

S Bhai, B Ganguly - Journal of Molecular Graphics and Modelling, 2019 - Elsevier
Metal ion interaction with deoxyribonucleic acid and peptide nucleic acid were studied using
B3LYP-D3/6–311++ g (d, p)//B3LYP/6-31+ G (d) level of theory in aqueous phase employing …

Water Solvated Zn (II)–Guanine Complex: Structural Aspects and Luminescence Properties

A Vasconcelos Sanches de Araújo… - The Journal of Physical …, 2023 - ACS Publications
Understanding the role of metal ions in living organisms and their interactions with biological
compounds is fundamental for our health and for developing technological devices for …

Consequences of Mg 2+ binding on the geometry and stability of RNA base pairs

A Halder, R Roy, D Bhattacharyya… - Physical Chemistry …, 2018 - pubs.rsc.org
Metal ions are crucial for folding and function of noncoding RNAs. The fact that RNAs have
very specific metal ion binding motifs further implies that contribution of metal ions (like …

A Complete Set of NMR Chemical Shifts and Spin−Spin Coupling Constants for l-Alanyl-l-alanine Zwitterion and Analysis of Its Conformational Behavior

P Bouř, M Buděšínský, V Špirko, J Kapitán… - Journal of the …, 2005 - ACS Publications
With the aid of labeling with stable isotopes (15N and 13C) a complete set of chemical shifts
and indirect spin− spin coupling constants was obtained for the zwitterionic form of l-alanyl-l …

Photoelectron spectra of some important biological molecules: symmetry-adapted-cluster configuration interaction study

H Farrokhpour, M Ghandehari - The Journal of Physical Chemistry …, 2013 - ACS Publications
In this work, the valence vertical ionization energies (up to 5) of some important biologically
active molecules including 2, 4-dinitrophenol, 2, 4-dinitroanisole, nicotinic acid, nicotinic …