New insights on the interaction of phenanthroline based ligands and metal complexes and polyoxometalates with duplex DNA and G-quadruplexes

Á Sánchez-González, NAG Bandeira… - Molecules, 2021 - mdpi.com
This work provides new insights from our team regarding advances in targeting canonical
and non-canonical nucleic acid structures. This modality of medical treatment is used as a …

Linear and nonlinear optical properties of nucleic acid bases

A Alparone - Chemical Physics, 2013 - Elsevier
Electronic and vibrational (hyper) polarizabilities of neutral nucleic acid bases (uracil,
thymine, cytosine, adenine, hypoxanthine and guanine) were determined using Hartree …

Highly selective electrochemical biosensor for the determination of folic acid based on DNA modified-pencil graphite electrode using response surface methodology

L Mirmoghtadaie, AA Ensafi, M Kadivar… - Materials Science and …, 2013 - Elsevier
An electrochemical DNA biosensor was proposed as a screening device for the rapid
analysis of folic acid using a pencil graphite electrode modified with salmon sperm ds-DNA …

Probing the binding mode of psoralen to calf thymus DNA

X Zhou, G Zhang, L Wang - International journal of biological …, 2014 - Elsevier
The binding properties between psoralen (PSO) and calf thymus DNA (ctDNA) were
predicted by molecular docking, and then determined with the use of UV–vis absorption …

[HTML][HTML] Equilibria in the aqueous system of cobalt (II) based on 2-picolinehydroxamic acid and N-(2-hydroxybenzyl) phenylalanine and its ability to inhibit the …

M Woźniczka, M Sutradhar, M Chmiela… - Journal of Inorganic …, 2023 - Elsevier
Mixed-ligand complexes of cobalt (II) with two bioligands, viz. 2-picolinehydroxamic acid and
the reduced Schiff base N-(2-hydroxybenzyl) phenylalanine, were studied in aqueous …

Influence of conventional hydrogen bonds in the intercalation of phenanthroline derivatives with DNA: The important role of the sugar and phosphate backbone

Á Sánchez‐González, P Grenut… - Journal of Computational …, 2022 - Wiley Online Library
The influence of hydrogen bonds in model intercalated systems between guanine‐cytosine
and adenine‐thymine DNA base pairs (bps) was analyzed with the popular intercalator 1, 10 …

The effect of cation–π interactions on the stability and electronic properties of anticancer drug Altretamine: a theoretical study

F Alirezapour, A Khanmohammadi - … Crystallographica Section C …, 2020 - journals.iucr.org
The present work utilizes density functional theory (DFT) calculations to study the influence
of cation–π interactions on the electronic properties of the complexes formed by Altretamine …

How the intercalation of phenanthroline affects the structure, energetics, and bond properties of DNA base pairs: theoretical study applied to adenine–thymine and …

A Gil, M Melle-Franco, V Branchadell… - Journal of chemical …, 2015 - ACS Publications
The effects of phenanthroline (phen) intercalation on the structure, energetics, and bonding
of adenine–thymine and guanine–cytosine tetramers (A–T/T–A and G–C/C–G) were studied …

Theoretical study on the interaction of phenylalaninal with group IA (Li+, Na+, K+) and IIA (Be2+, Mg2+, Ca2+) metal cations

F Alirezapour… - Journal of the Chinese …, 2021 - Wiley Online Library
In this study, the structural and electronic effects of the interaction of the metal cations (Li+,
Na+, K+, Be2+, Mg2+, Ca2+) with the π‐system of phenylalaninal (PhA) are investigated …

Interactions of the 5-fluorouracil anticancer drug with DNA pyrimidine bases: a detailed computational approach

L Hokmabady, H Raissi, A Khanmohammadi - Structural Chemistry, 2016 - Springer
The H-bonded complexes formed from interaction between 5-fluorouracil (FU) and DNA
pyrimidine bases have been investigated by B3LYP method using 6-311++ G** basis set in …