Journal of Organometallic Chemistry, Journal Year: 2025, Volume and Issue: unknown, P. 123687 - 123687
Published: April 1, 2025
Language: Английский
Journal of Organometallic Chemistry, Journal Year: 2025, Volume and Issue: unknown, P. 123687 - 123687
Published: April 1, 2025
Language: Английский
Journal of Molecular Liquids, Journal Year: 2025, Volume and Issue: 424, P. 126986 - 126986
Published: Jan. 22, 2025
Citations
0Scientific African, Journal Year: 2025, Volume and Issue: unknown, P. e02582 - e02582
Published: Feb. 1, 2025
Language: Английский
Citations
0Journal of Molecular Structure, Journal Year: 2025, Volume and Issue: unknown, P. 141658 - 141658
Published: Feb. 1, 2025
Language: Английский
Citations
0Chemistry Africa, Journal Year: 2025, Volume and Issue: unknown
Published: Feb. 13, 2025
Language: Английский
Citations
0Bioorganic Chemistry, Journal Year: 2025, Volume and Issue: 158, P. 108319 - 108319
Published: Feb. 27, 2025
Language: Английский
Citations
0Journal of Molecular Structure, Journal Year: 2025, Volume and Issue: unknown, P. 141898 - 141898
Published: Feb. 1, 2025
Language: Английский
Citations
0Biophysical Chemistry, Journal Year: 2025, Volume and Issue: 322, P. 107435 - 107435
Published: March 14, 2025
Language: Английский
Citations
0Results in Chemistry, Journal Year: 2025, Volume and Issue: unknown, P. 102182 - 102182
Published: March 1, 2025
Language: Английский
Citations
0Chemical Biology & Drug Design, Journal Year: 2025, Volume and Issue: 105(3)
Published: March 1, 2025
ABSTRACT Twelve thiazole‐pyrazole analogues 4 , 6 and 8 were synthesized by introducing various pyrazole systems into the core, 2‐((4‐acetylphenyl)amino)‐4‐methylthiazole ( 2 ), through many synthetic approaches. The density functional theory (DFT) study of revealed coincided configurations their highest occupied lowest unoccupied molecular orbitals (HOMO LUMO), except for nitro derivatives, in which intramolecular charge‐transfer (CT) may be denoted as π → π* n π*. In addition, vitro antiproliferative efficacy towards some cancer cell lines was examined (Panc‐1, HT‐29, MCF‐7) non‐cancerous (WI‐38), using Dasatinib (Reference). 4c 4d demonstrated most potent anticancer effect, particularly against Panc‐1 MCF‐7 cells. Moreover, antiviral activity H5N1, a plaque reduction assay, showed that analogue 6a exhibited (100% inhibition TC 50 = 61 μg/μL), comparable to reference drug amantadine (TC 72 μg/μL, 100% inhibition). Furthermore, docking disclosed range interactions, such H‐bonding π‐π stacking, with binding affinities between −4.8558 − 8.3673 kcal/mol. Additionally, SwissADME predictions indicated possess promising drug‐like characteristics, but 4a–d 8c inadequate solubility bioavailability, restricts use viable oral medications.
Language: Английский
Citations
0European Journal of Medicinal Chemistry, Journal Year: 2025, Volume and Issue: unknown, P. 117534 - 117534
Published: March 1, 2025
Language: Английский
Citations
0