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Substituent effect in salicylaldehyde 2-furoic acid hydrazones: Theoretical and experimental insights into DNA/BSA affinity modulation, antimicrobial and antioxidant …
The biological properties of five aroylhydrazones derived from salicylaldehyde and its 5-
substituted derivatives with 2-furoic acid hydrazide were thoroughly investigated. NMR …
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
Abstract Density Functional Theoretical (DFT) and molecular docking studies have been
used to elucidate the antineoplastic potential of the ligand 6-Methylpyridine-2-carbaldehyde …
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
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 …
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
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 …
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
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 …
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 …
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 …
Vis), crystal structure determination, DFT studies, and molecular modeling of 4‐amino‐3 …