Design, synthesis, biological evaluation, and in silico studies of novel 1,3-thiazole derivatives

RSC Advances 2026 Open access

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Authors: Nguyen Duy Khanh, Nguyen Thi Hong Anh, Nguyen Van Son, Nguyễn Thị Mai Thơ, Nguyen Thi Nhat Thang, Tran Thuy Quyen, Tran Nguyen Minh An
DOI: 10.1039/d5ra08472e
Cited by: 3
References: 63

Abstract

analyses. A 100 ns molecular dynamics simulation of the 4l-4J5T complex further confirmed its structural stability after 60 ns, with key residues Glu428 and Asn452 maintaining hydrogen bond interactions for approximately 80% of the simulation time. In addition, ADMET predictions indicated that compound 4l possesses favourable pharmacokinetic properties. Collectively, these findings highlight a novel thiazole-based scaffold exhibiting multi-target biological activity and underscore its promising potential for further drug development.

Fields of Study & Subjects

Synthesis and biological activity Synthesis of heterocyclic compounds Synthesis of Tetrazole Derivatives

Publication details

Journal / source
RSC Advances
Publisher
Royal Society of Chemistry (RSC)
Volume
16
Issue
3
Pages
2342–2362
Publication date
1 January 2026
Language
EN