Search

Telomere shortening and the induction of senescence and/or cell death may result from inhibition of telomerase activity in cancer cells. Herein, the properties of carbazole–triazole compounds targeting telomerase in human breast cancer cells are explored. All derivatives were evaluated for loss of viability in MCF-7 breast cancer cells, with compound 5g identified as the most potent within the examined series. Green synthesis was employed using water, a reusable nano-Fe2O3-catalyzed reaction, and an electrochemical method for the synthesis of tetrahydrocarbazole and triazoles. The crystal data of compound 4 is also reported. Furthermore, in silico analysis predicted that compound 5g may target human telomerase. Molecular docking analysis of compound 5g towards hTERT predicted a binding affinity of −6.74 kcal/mol. In flow cytometry assays, compound 5g promoted apoptosis and cell cycle arrest in the G2-M phase. Finally, compound 5g inhibited the enzymatic activity of telomerase in human breast cancer cells. In conclusion, a green synthesized series of carbazole–triazoles that target telomerase in cancer cells is reported. [ABSTRACT FROM AUTHOR]

Breast cancer (BC) is the second leading cause of cancer‐related mortality in women, and targeting biological pathways such as the JNK pathway has proven to be a viable therapeutic target for BC therapy. Here, we synthesized piperazin‐2‐yl‐pyrimidines and evaluated them for anticancer activity against MCF‐7 cells. In addition, antioxidant, reactive oxygen species (ROS) inhibition, caspase activity, and toxicity in platelets were studied in the presence and absence of active compound IA‐6 or IA‐7. Our detailed experimental analysis found that the compound IA‐7 showed anticancer activity by either activating p‐JNK or by inducing radical species in cancer and thrombosis model. Evident to in vitro analysis, the structure based molecular interaction studies of binding of IA‐7 to JNK3S exhibited a significant binding energy of −7.56 kcal/mol which was found to be a better binder when compared to previously reported JNK inducer (PC‐12). Overall, we herein report the analytically pure IA‐7 as lead structure that could be used as a template to develop target based anticancer agents where JNK modulation is predominant. [ABSTRACT FROM AUTHOR]

A new microwave-assisted method is developed for the synthesis of 2-substituted-thiazol-4(5H)-ones via Hantzsch condensation by a simple experimental protocol without using any catalyst. The products were isolated in excellent yield without any purification. Synthesized compounds were characterized by applying FTIR, 1H NMR, 13C NMR, and mass spectral studies and a plausible mechanism is proposed for the formation of the product. The method is versatile for the preparation of a new class of 2-substituted-thiazol-4(5H)-ones. [ABSTRACT FROM AUTHOR]

A simple, expedited, and eco-friendly protocol for the synthesis of thioesters and thioamides using Potassium thiocyanate as thionating agent under microwave irradiation method is described. Synthesized compounds are obtained in good yield were analyzed by spectral techniques and matching with the standard compounds made by the reported procedure. [ABSTRACT FROM AUTHOR]

The development of cost-effective, sustainable, eco-friendly and efficient compounds is a renovated science and a demanding assignment for today's chemists and technology specialists. In this context, the anticorrosion effect of a new Schiff base hydrazone, namely (E)-2-(4-(2-(methyl(pyridin-2-yl)amino)ethoxy)benzylidiene)hydrazine-1-carboxamide (MPAH) against the mild steel (MS) surface in 1.0 M HCl has been analyzed utilizing experimental methods, thermodynamic characterizations, and computational studies. MPAH has proven to be an effective inhibitor in 1.0 M HCl solution. Its inhibition performance improved by raising the concentration of the compound to an optimal concentration of 5 × 10−3 M, and 97% efficiency was achieved at 303 K. Inhibitor adsorption on the MS has been explicated with both physical and chemical interactions. The adsorption was in accordance with the isotherm of Langmuir. The impact of MPAH on the surface of MS had been confirmed utilizing SEM/EDX, electrochemical impedance spectroscopy (EIS), gravimetric measurements (WL), and potentiodynamic polarization (PDP). The adsorption of the studied compound on the MS surface has also been investigated by DFT and the molecular dynamics (MD) simulations. [ABSTRACT FROM AUTHOR]

Isoniazid is the most important heterocyclic moiety in organic and medicinal chemistry due to the presence of reactive site in the molecule, which extends its application in various fields. Isoniazid is the most important first-line drug used in the treatment of tuberculosis. The interesting molecular design of isoniazid makes them apt moieties in drug design. In this review, our aim is to summarize recent synthetic strategies and pharmacological properties of isoniazid derivatives. [ABSTRACT FROM AUTHOR]