Synthesis, X-ray, Hirshfeld Surface Analysis, Computational investigations, ADME investigations, and Insecticidal Activities using Docking Simulation of Kite-like 2,4,6-triarylpyridine

Journal of Molecular Structure, Год журнала: 2024, Номер unknown, С. 140189 - 140189

Опубликована: Сен. 1, 2024

Язык: Английский

---

Unreported Biginelli product with potent antifungal activity: Synthesis, DFT insights, and docking simulation analysis

Journal of Molecular Structure, Год журнала: 2025, Номер unknown, С. 141480 - 141480

Опубликована: Янв. 1, 2025

Язык: Английский

---

Studying the impact of chitosan salicylaldehyde/schiff base/CuFe2O4 in PC3 cells via theoretical studies and inhibition of PI3K/AKT/mTOR signalling

Scientific Reports, Год журнала: 2025, Номер 15(1)

Опубликована: Фев. 3, 2025

In this elucidation, the nucleophilic attack of salicyladehyde with chitosan, which was obtained from shrimp shell, afforded cellulose aldehyde (Schiff base), and then dispersion CuFe2O4 on surface gave novel nanomaterial bimetallic oxide, confirmed through spectral analysis such as FT-IR, NMR, SEM, XRD analysis. Moreover, anti-proliferative effect chitosan salicylaldehyde, salicylaldehyde/CuFe2O4 evaluated in PC3 human prostate cancer cells HSF normal skin fibroblasts. After 48 h, cell proliferation significantly inhibited by salicylaldehyde (IC50 = 35.3 45.55 µg/ml, respectively) without any effects cells. The mRNA expression levels PI3K, AKT, mTOR, CCND1 were examined PC3-treated using QRT-PCR, results demonstrated that, down-regulating these genes, affected proliferation, progression, autophagy more than salicylaldehyde. Furthermore, docking stimulation derivatives different proteins showed presence particles interaction inside their pockets increased activities, it's related to biological evaluation. Additionally, theoretical investigation determination physical descriptors activity oxide electrostatic hydrogen bond interaction. Finally, findings may suggest that has a promising anticancer impact against cancer.

Язык: Английский

---

Antimicrobial, Antioxidant Activities and ADME studies of Novel BaSnO3 sulphone cellulose with docking simulation

Journal of Molecular Structure, Год журнала: 2024, Номер unknown, С. 140945 - 140945

Опубликована: Ноя. 1, 2024

Язык: Английский

---