N-Heterocyclic Carbene Platinum Complexes: A Big Step Forward for Effective Antitumor Compounds

2019 ◽  
Vol 2020 (1) ◽  
pp. 2-2
Author(s):  
Stéphane Bellemin-Laponnaz
Keyword(s):  
Platinum Complexes ◽  
Antitumor Compounds

Application of a Validated QSTR Model for Repurposing COX-2 Inhibitor Coumarin Derivatives as Potential Antitumor Agents

2019 ◽  
Vol 19 (13) ◽  
pp. 1121-1128 ◽  
Author(s):  
Gulcin Tugcu ◽  
Hande Sipahi ◽  
Ahmet Aydin
Keyword(s):  
Antitumor Activity ◽  
Drug Development ◽  
Linear Model ◽  
Cell Lines ◽  
Cyclooxygenase 2 ◽  
Large Set ◽  
Coumarin Derivatives ◽  
Antitumor Compounds ◽  
Cyclooxygenase 2 Inhibitors ◽  
Potential Antitumor

Background: The discovery of novel potent molecules for both cancer prevention and treatment has been continuing over the past decade. In recent years, identification of new, potent, and safe anticancer agents through drug repurposing has been regarded as an expeditious alternative to traditional drug development. The cyclooxygenase-2 is known to be over-expressed in several types of human cancer. For this reason cyclooxygenase-2 inhibition may be useful tool for cancer chemotherapy. Objective: The first aim of the study was to develop a validated linear model to predict antitumor activity. Subsequently, applicability of the model for repurposing these cyclooxygenase-2 inhibitors as antitumor compounds to abridge drug development process. Method: We performed a quantitative structure-toxicity relationship (QSTR) study on a set of coumarin derivatives using a large set of molecular descriptors. A linear model predicting growth inhibition on leukemia CCRF cell lines was developed and consequently validated internally and externally. Accordingly, the model was applied on a set of 143 cyclooxygenase-2 inhibitor coumarin derivatives to explore their antitumor activity. Results: The results indicated that the developed QSAR model would be useful for estimating inhibitory activity of coumarin derivatives on leukemia cell lines. Electronegativity was found to be a prominent property of the molecules in describing antitumor activity. The applicability domain of the developed model highlighted the potential antitumor compounds. Conclusion: The promising results revealed that applied integrated in silico approach for repurposing by combining both the biological activity similarity and the molecular similarity via the computational method could be efficiently used to screen potential antitumor compounds among cyclooxygenase-2 inhibitors.

scholarly journals First Attempts of the Use of 195Pt NMR of Phenylbenzothiazole Complexes as Spectroscopic Technique for the Cancer Diagnosis

Molecules ◽  
2019 ◽  
Vol 24 (21) ◽  
pp. 3970 ◽  
Author(s):  
Bruna T. L. Pereira ◽  
Mateus A. Gonçalves ◽  
Daiana T. Mancini ◽  
Kamil Kuca ◽  
Teodorico C. Ramalho
Keyword(s):  
Cancer Treatment ◽  
Cancer Diagnosis ◽  
Density Functional ◽  
Chemical Shifts ◽  
Chloride Ion ◽  
Platinum Complexes ◽  
Dft Method ◽  
Ion Concentration ◽  
Implicit Solvent ◽  
Early Cancer Diagnosis

Platinum complexes have been studied for cancer treatment for several decades. Furthermore, another important platinum characteristic is related to its chemical shifts, in which some studies have shown that the 195Pt chemical shifts are very sensitive to the environment, coordination sphere, and oxidation state. Based on this relevant feature, Pt complexes can be proposed as potential probes for NMR spectroscopy, as the chemical shifts values will be different in different tissues (healthy and damaged) Therefore, in this paper, the main goal was to investigate the behavior of Pt chemical shifts in the different environments. Calculations were carried out in vacuum, implicit solvent, and inside the active site of P13K enzyme, which is related with breast cancer, using the density functional theory (DFT) method. Moreover, the investigation of platinum complexes with a selective moiety can contribute to early cancer diagnosis. Accordingly, the Pt complexes selected for this study presented a selective moiety, the 2-(4′aminophenyl)benzothiazole derivative. More specifically, two Pt complexes were used herein: One containing chlorine ligands and one containing water in place of chlorine. Some studies have shown that platinum complexes coordinated to chlorine atoms may suffer hydrolyses inside the cell due to the low chloride ion concentration. Thus, the same calculations were performed for both complexes. The results showed that both complexes presented different chemical shift values in the different proposed environments. Therefore, this paper shows that platinum complexes can be a potential probe in biological systems, and they should be studied not only for cancer treatment, but also for diagnosis.

scholarly journals Peppers: A “Hot” Natural Source for Antitumor Compounds

Molecules ◽  
2021 ◽  
Vol 26 (6) ◽  
pp. 1521
Author(s):  
Micael Rodrigues Cunha ◽  
Maurício Temotheo Tavares ◽  
Thais Batista Fernandes ◽  
Roberto Parise-Filho
Keyword(s):  
Cell Death ◽  
Cellular Responses ◽  
Biological Applications ◽  
Traditional Use ◽  
Cytotoxic Effects ◽  
Antiproliferative Effects ◽  
Naturally Occurring ◽  
Antitumor Compounds ◽  
Tumorigenic Cells ◽  
Ancient Civilizations

Piper, Capsicum, and Pimenta are the main genera of peppers consumed worldwide. The traditional use of peppers by either ancient civilizations or modern societies has raised interest in their biological applications, including cytotoxic and antiproliferative effects. Cellular responses upon treatment with isolated pepper-derived compounds involve mechanisms of cell death, especially through proapoptotic stimuli in tumorigenic cells. In this review, we highlight naturally occurring secondary metabolites of peppers with cytotoxic effects on cancer cell lines. Available mechanisms of cell death, as well as the development of analogues, are also discussed.

Mustards-Derived Terpyridine–Platinum Complexes as Anticancer Agents: DNA Alkylation vs Coordination

2021 ◽  
Vol 60 (4) ◽  
pp. 2414-2424
Author(s):  
Muneebah Adams ◽  
Matthew P. Sullivan ◽  
Kelvin K. H. Tong ◽  
David C. Goldstone ◽  
Muhammad Hanif ◽  
...  
Keyword(s):  
Anticancer Agents ◽  
Platinum Complexes ◽  
Dna Alkylation
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