ADMET tools in the digital era: Applications and limitations

Advances in pharmacology, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 1, 2025

Language: Английский

A versatile precursor for one‐pot synthesis of novel azo‐thiazole and thiazole scaffolds as prospective antimicrobial and antioxidant agents

Journal of the Chinese Chemical Society, Journal Year: 2024, Volume and Issue: 71(10), P. 1309 - 1323

Published: Aug. 2, 2024

Abstract In this study, we present a simple method for preparing new series of thiazoles with excellent isolated yields. To synthesize the target thiazole scaffolds, straightforward one‐pot procedure was developed including an amine‐mediated reaction isoxazolethiazolidin‐4‐one derivative, thiosemicarbazide, and appropriate hydrazonyl chlorides. The conditions protocol were optimized by experimenting different solvents amines. best results achieved conducting in dioxane triethylamine at 100°C 5 h. structures desired products proved elemental analyses spectral data. Additionally, antimicrobial efficacy all derivatives assessed against various types microorganisms. observed indicated that activity thiosemicarbazone derivative 2 strongest among series, MIC values ranging from 0.03 ± 0.01 to 0.98 0.15 μg/mL. Moreover, antioxidant evaluations conducted on targets, using ascorbic acid as reference drug. Significantly, 10 demonstrated most promising inhibitory effects. further toxicity studies performed active novel compounds, revealing their drug‐like properties varying risks humans.

Language: Английский

Design, Synthesis, In Silico Studies, and Anticancer Activity of Novel Nitrobenzene Thiazolyl Hydrazones against the EGFR

Russian Journal of Bioorganic Chemistry, Journal Year: 2024, Volume and Issue: 50(6), P. 2483 - 2498

Published: Dec. 1, 2024

Language: Английский