Substituent effect in salicylaldehyde 2-furoic acid hydrazones: Theoretical and experimental insights into DNA/BSA affinity modulation, antimicrobial and antioxidant …

A Zahirović, S Fetahović, M Feizi-Dehnayebi… - Journal of molecular …, 2024 - Elsevier
The biological properties of five aroylhydrazones derived from salicylaldehyde and its 5-
substituted derivatives with 2-furoic acid hydrazide were thoroughly investigated. NMR …

[HTML][HTML] Theoretical investigation and antineoplastic potential of Zn (II) and Pd (II) complexes of 6-methylpyridine-2-carbaldehyde-N (4)-ethylthiosemicarbazone

EA Eno, FA Patrick-Inezi, H Louis, TE Gber… - Chemical Physics …, 2022 - Elsevier
Abstract Density Functional Theoretical (DFT) and molecular docking studies have been
used to elucidate the antineoplastic potential of the ligand 6-Methylpyridine-2-carbaldehyde …

Detection of Carbon, Sulfur, and Nitrogen Dioxide Pollutants with a 2D Ca12O12 Nanostructured Material

H Louis, TGC Egemonye, TO Unimuke, BE Inah… - ACS …, 2022 - ACS Publications
In recent times, nanomaterials have been applied for the detection and sensing of toxic
gases in the environment owing to their large surface-to-volume ratio and efficiency. CO2 is …

[HTML][HTML] Molecular modeling, DFT studies and biological evaluation of methyl 2, 8-dichloro-1, 2-dihydroquinoline-3-carboxylate

JA Agwupuye, TE Gber, HO Edet, M Zeeshan… - Chemical Physics …, 2023 - Elsevier
The need for Novel antimicrobial drugs aim at combating the essential elements of bacterial
metabolism including cell walls, DNA gyrase, DNA-directed RNA polymerase, protein …

Investigation on the molecular, electronic and spectroscopic properties of rosmarinic acid: an intuition from an experimental and computational perspective

EA Eno, CR Cheng, H Louis, TE Gber… - Journal of …, 2023 - Taylor & Francis
Various drugs such as corticosteroids, salbutamol, and β2 agonist are available for the
treatment of asthma an inflammatory disease and its symptoms, although the ingredient and …

Synthesis, spectral characterization, DFT studies, and computational screening of 4‐amino‐3‐mercapto‐5‐methyl‐1, 2, 4‐triazole and its cadmium (II) mixed ligands …

EA Eno, EED Okon, H Louis, NU Obot… - Vietnam Journal of …, 2023 - Wiley Online Library
In this research paper we report the detailed synthesis, spectral (1H‐NMR, FT‐IR, and UV‐
Vis), crystal structure determination, DFT studies, and molecular modeling of 4‐amino‐3 …