Journal ArticleDOI
Thiazole-based nitrogen mustards: Design, synthesis, spectroscopic studies, DFT calculation, molecular docking, and antiproliferative activity against selected human cancer cell lines
Krzysztof Z. Łączkowski,Marta Świtalska,Angelika Baranowska-Łączkowska,Tomasz Plech,Agata Paneth,Konrad Misiura,Joanna Wietrzyk,Barbara Czaplińska,Anna Mrozek-Wilczkiewicz,Katarzyna Malarz,Robert Musiol,Izabela Grela +11 more
Reads0
Chats0
TLDR
Results show that compounds 5e and 5i have very strong activity against MCF-7 and HCT116 with IC50 values of 3.02–4.13 μg/ml, and the cytotoxic activity of compound 5c and 5f against BALB/3T3 cells is up to 20 times lower than against cancer cell lines.About:
This article is published in Journal of Molecular Structure.The article was published on 2016-09-05. It has received 22 citations till now. The article focuses on the topics: Thiazole & Cellular localization.read more
Citations
More filters
Journal ArticleDOI
Thiazole-containing compounds as therapeutic targets for cancer therapy.
TL;DR: This review presents current research on thiazoles and elucidates their biological importance in anticancer drug discovery and the findings may aid researchers in the rational design of more potent and bio-target specific antic cancer drug molecules.
Journal ArticleDOI
Therapeutic journery of nitrogen mustard as alkylating anticancer agents: Historic to future perspectives.
TL;DR: A comprehensive review of the medicinal chemistry aspects in the development of various classes of nitrogen mustards (mechlorethamine, chlorambucil, melphalan, cyclophosphamide and steroidal based nitrogenmustards) including the historical and the latest developments in these areas are discussed.
Journal ArticleDOI
Thiazoles with cyclopropyl fragment as antifungal, anticonvulsant, and anti- Toxoplasma gondii agents: synthesis, toxicity evaluation, and molecular docking study
Krzysztof Z. Łączkowski,Natalia Konklewska,Anna Biernasiuk,Anna Malm,Kinga Sałat,Anna Furgała,Katarzyna Dzitko,Adrian Bekier,Angelika Baranowska-Łączkowska,Agata Paneth +9 more
TL;DR: Thiazoles 3a, 3h, and 3j showed significant anti-Toxoplasma gondii activity, with IC50 values 31–52 times lower than those observed for sulfadiazine, which indicated secreted aspartic proteinase (SAP) as possible antifungal target.
Journal ArticleDOI
Synthesis, antimicrobial activity, and determination of the lipophilicity of ((cyclohex-3-enylmethylene)hydrazinyl)thiazole derivatives
Anna Biernasiuk,Magdalena Kawczyńska,Anna Berecka-Rycerz,Beata Rosada,Anna Gumieniczek,Anna Malm,Katarzyna Dzitko,Krzysztof Z. Łączkowski +7 more
TL;DR: In this article, the synthesis and investigation of antimicrobial activity of fifteen novel thiazoles containing cyclohexene moiety are presented. And a good correlation was obtained between lipophilicity of compounds determined using reversed phase thin-layer chromatography and their antifungal activity.
Journal ArticleDOI
2-Aminothiazole: A privileged scaffold for the discovery of anti-cancer agents
TL;DR: This review summarized the recent progress of 2-aminothiazole as a privileged scaffold for the discovery of anti-cancer agents based on biological targets, such as tubulin protein, histone acetylase/histone deacetylase (HAT/HDAC), phosphatidylinositol 3-kinases (PI3Ks), and also investigated the structure-activity relationships (SARs) of most compounds.
References
More filters
Journal ArticleDOI
The Protein Data Bank
Helen M. Berman,John D. Westbrook,Zukang Feng,Gary L. Gilliland,Talapady N. Bhat,Helge Weissig,Ilya N. Shindyalov,Philip E. Bourne +7 more
TL;DR: The goals of the PDB are described, the systems in place for data deposition and access, how to obtain further information and plans for the future development of the resource are described.
Journal ArticleDOI
Quantum mechanical continuum solvation models.
TL;DR: This paper presents a meta-modelling procedure called "Continuum Methods within MD and MC Simulations 3072", which automates the very labor-intensive and therefore time-heavy and expensive process of integrating discrete and continuous components into a discrete-time model.
BookDOI
Molecular fluorescence : principles and applications
TL;DR: In this article, the effects of intermolecular photophysical processes on fluorescence emission are discussed and an analysis of the effect of polarity of fluorescence emissions is presented.
Journal ArticleDOI
Ab initio study of solvated molecules: A new implementation of the polarizable continuum model
TL;DR: In this article, an efficient version of the polarizable continuum solvation model was implemented in the GAUSSIAN94 package, which exploits a new definition of surface elements area, and a direct formulation of the electrostatic self-consistent problem.