Solvent-solute interaction, thermodynamic behaviour, structural, chemical and anti-cancer biological properties of 3 (2H)-furanone derivatives
In this work, the structures, reactivities, and electronic and biological properties of the 3 (2H)-
furanone derivatives, 2-hydroxy-2, 5-diphenyl-4-(phenylamino) furan-3 (2H)-one (HDPF), 2 …
furanone derivatives, 2-hydroxy-2, 5-diphenyl-4-(phenylamino) furan-3 (2H)-one (HDPF), 2 …
[HTML][HTML] Green synthesis of bimetallic AgZnO Nanoparticles: Synergistic anticancer effects through regulation of gene expression for lung cancer treatment
Lung cancer is the foremost diagnosed cancer in men and the second most common cancer
worldwide, highlighting the need for new treatment strategies. In the current study, AgZnO …
worldwide, highlighting the need for new treatment strategies. In the current study, AgZnO …
Quantum computational, solvation and in-silico biological studies of a potential anti-cancer thiophene derivative
Heterocyclic molecules display a wide spectrum of properties that span both material and
biological domains. Material properties stem from their interactions in the bulk, where a large …
biological domains. Material properties stem from their interactions in the bulk, where a large …
Computational studies into the chemical nature, thermal behaviour, solvent role, reactivity and biological evaluation of Rigidin E–A marine alkaloid with potent liver …
W Hammad, SC Parakkal, R Datta, S Muthu… - Journal of Molecular …, 2023 - Elsevier
The current work includes theoretical studies of Rigidin E (marine alkaloid) molecule with
the DFT technique and evaluation of its biological properties in silico. DFT calculations in …
the DFT technique and evaluation of its biological properties in silico. DFT calculations in …
[HTML][HTML] DFT and molecular docking analyses of the effects of solvent polarity and temperature on the structural, electronic, and thermodynamic properties of p …
U Sherefedin, A Belay, K Gudishe, A Kebede… - Results in Physics, 2024 - Elsevier
This study investigated the effects of solvent polarity and temperature on the structural,
electronic, and thermodynamic properties of p-coumaric acid (p-CA) and its interaction with …
electronic, and thermodynamic properties of p-coumaric acid (p-CA) and its interaction with …
Structural, electronic, intermolecular interaction, reactivity, vibrational spectroscopy, charge transfer, Hirshfeld surface analysis, pharmacological and hydropathy plot …
R Sravanthi, S Mahalakshmi, S Kumaran… - Heliyon, 2023 - cell.com
The therapeutic properties of 5-Bromonicotinatic acid (5BNA) were studied for antiviral
illnesses like Hepatitis A, Hepatitis B and Hepatitis C and the influence of electron-donating …
illnesses like Hepatitis A, Hepatitis B and Hepatitis C and the influence of electron-donating …
Computational study of charge transfer iso-surface in first three excited states, electron-hole transition effects, chemical nature and bond order analysis investigations …
This work presents the theoretical DFT (Density Functional Theory) studies and the
biological application of chrysogine, a marine alkaloid. Energy minimisation and additional …
biological application of chrysogine, a marine alkaloid. Energy minimisation and additional …
Quantum computational, charge density, optical, molecular reactivity and thermodynamical analysis of Di-Halogen substituted nicotinic acid derivatives
R Sravanthi, S Mahalakshmi, A Saral… - Computational and …, 2024 - Elsevier
Chloro-3-fluoro-2-(trifluoromethyl) isonicotinic acid (6C3F2TINA) and 6-Chloro-5-
fluoronicotinic acid (6C5FNA) are currently being studied using the DFT method for the …
fluoronicotinic acid (6C5FNA) are currently being studied using the DFT method for the …
Computational investigation into the structure, effect of band gap energies, charge transfer, reactivity, thermal energies and NADPH inhibitory activity of a …
This work contains computational investigations of a benzimidazole derivative consisting of
density functional theory, electronic structure and biological evaluation of a benzimidazole …
density functional theory, electronic structure and biological evaluation of a benzimidazole …
Characterization of the Cytotoxic Effect of Naphthalenacetamides Hydrochlorides on Cervical Cancer-Derived Cells
C Martínez-Nava, C Pérez-González… - Medicinal …, 2024 - benthamdirect.com
Introduction Cervical cancer is a global health problem due to its high incidence and
prevalence in women, mainly in third-world countries. For the treatment of this disease, there …
prevalence in women, mainly in third-world countries. For the treatment of this disease, there …