In this article, we describe a set of subsequent five-steps chemical reactions to synthesize a ferrocene derivative named 1-(5-(diphenylphosphaneyl)cyclopenta-1,3-dien-1-yl)ethyl)imino)-1,3-dihydroisobenzofuran-5-yl)methanol (compound 10). Structural characterization of 10 and its intermediate products was also performed and reported to attest to their formation. A molecular docking study was performed to propose the novel synthesized ferrocene derivative (10) as a potential antitumor candidate targeting the mitogen-activated protein (MAP) kinases interacting kinase (Mnk) 1. The computed docking score of (10) at −9.50 kcal/mol compared to the native anticancer staurosporine at −8.72 kcal/mol postulated a promising anticancer activity. Also, molecular dynamics (MD) simulations were carried out for 500 ns followed by MM-GBSA-binding free energy calculations for both the docked complexes of ferrocene and staurosporine to give more deep insights into their dynamic behavior in physiological conditions. Furthermore, DFT calculations were performed to unravel some of the physiochemical characteristics of the ferrocene derivative (10). The quantum mechanics calculations shed the light on some of the structural and electrochemical configurations of (10) which would open the horizon for further investigation. Communicated by Ramaswamy H. Sarma

Herein, a new series of cyclopentaquinoline derivatives (6a–g) were designed and synthesized based on the pharmacophoric features acquired by some reported DNA intercalators and topoisomerase II inhibitors. The anti-proliferative properties of the newly synthesized compounds were investigated and both 6d and 6f compounds revealed promising anticancer activities against the five different cancer cell lines. Compound 6d exhibited very strong to strong anticancer activities against HepG-2, MCF-7, HCT-116, MDA-231, and Caco-2 cell lines with IC₅₀ values of 7.06, 11.61, 6.28, 8.32, and 18.76 μM, respectively, compared to those of doxorubicin as a reference standard (4.50, 4.17, 5.23, 3.18, and 12.49 μM, respectively). However, compound 6f showed superior anticancer activities to doxorubicin against HepG-2, HCT-116, and Caco-2 cell lines with IC₅₀ values of 2.31, 3.67, and 9.83 μM, respectively. Also, compound 6f showed very strong anticancer activities against MCF-7 and MDA-231 cell lines with IC₅₀ values of 6.83 and 4.78 μM, respectively. Moreover, it was revealed that compounds 6d and 6f efficiently inhibited the topoisomerase II activity with IC₅₀ values of 2.26 and 0.97 μM, respectively, and close to that attained by etoposide as a reference standard (IC₅₀ = 0.34 μM). Moreover, compounds 6d and 6f were investigated to have apoptosis percentages of 28.05% and 35.56% which are more than the control (0.95%) by approximately 27- and 37-fold, respectively. Besides, both compounds induced a significant cell-cycle arrest in S and G1 phases, respectively. Furthermore, the molecular docking studies of compounds 6d and 6f against the DNA–topoisomerase II complex revealed their binding scores to be −5.75 and −6.62 kcal mol⁻¹ compared to both the co-crystallized inhibitor (EVP) and doxorubicin as two reference standards (−10.52 and −8.92 kcal mol⁻¹, respectively). Also, ADMET in silico studies were performed to describe the physicochemical, pharmacokinetics, and toxicity parameters of the synthesized derivatives. Finally, a structure–activity relationship study (SAR) was accomplished so that any changes in their antiproliferative activities can be disclosed upon further structural modifications in the future.

Nephrotoxicity is a major hazard complicating the use of platinum based drugs (PBD), which can hinder using higher doses protocols to maximize the therapeutic gain. Shortage of serum creatinine level as an accurate biomarker for acute kidney injuries (AKI) necessitates searching for novel biomarkers with better sensitivity and specificity in patients on PBD. In a prospective cohort design, 132 patients receiving PBD were selected for the study. AKI was diagnosed by continuous follow up of serum creatinine level according to Kidney Disease: Improving Global Outcomes (KDIGO) guidelines 2012. Serum creatinine and urinary biomarkers (KIM-1, NGAL and cystatin C) was measured in the day of treatment and for 3 days after PBD cycle. AKI occurred in 35 patients (26.52% of patients). KIM-1, Cystatin C, and NGAL showed significant increase in samples collected in the day of AKI in comparison to their corresponding basal levels (P < 0.0001). In addition, significant increase in urinary levels of the biomarkers in samples collected 1 day before AKI in comparison to their basal levels (P < 0.0001, P < 0.0001, and P = 0.013 for KIM-1, NGAL and Cystatin C respectively). Furthermore KIM-1 data showed a significant increase 2 days before serum creatinine rise in comparison to the corresponding KIM-1 levels in patients who developed AKI (P = 0.001). Urinary KIM-1, Cystatin C and NGAL can predict PBD induced AKI in earlier stages than serum createnine. KIM-1 is the most sensitive biomarker for early detection of AKI in patients receiving PBD.

This study reports the green synthesis of biocompatible TiO₂‐based nanoparticles using Mentha suaveolens extract as a reducing and capping agent. We successfully produced two novel nanocomposites: Fe ₂ O ₃ @TiO₂ and CoO@TiO₂. These nanocomposites possess distinct optical properties, enhanced surface area, and well‐defined morphologies, as revealed by advanced characterization techniques. Notably, Fe ₂ O ₃ @TiO₂ exhibits a red‐shifted absorption, suggesting potential for photocatalysis, sensing, or light‐harvesting applications. Furthermore, the nanocomposites displayed improved antibacterial activity against various bacterial strains compared to the M. suaveolens extract, highlighting their potential as effective and biocompatible antimicrobial agents. Our work pioneers a sustainable and one‐step approach for synthesizing versatile TiO ₂ ‐based nanocomposites with tunable functionalities. These findings open doors for developing novel materials with applications ranging from enhanced antimicrobial defenses to light‐driven technologies.

Nano-catalysts are of special character for the synthesis of organic molecules with high efficiency, and exceptional physicochemical properties. The objective of this study was to present an overview of the literature reports concerning the synthetic strategies supported by nano-catalysts and the biological features of heterocycle-integrated pyridopyrimidine scaffolds. The basic topics include the strategies that were adopted to prepare pyrido[2,3-d]pyrimidines and pyrido[1,2-a]pyrimidines. The synthesis of pyrido[2,3-d]pyrimidines was attained through two-, three-, or four-component reactions. The synthesis of spirocyclic systems, including spiro[indoline-pyridopyrimidine] derivatives and arylation reactions, was investigated. The anticipated mechanisms of the diverse target products, in addition to the preparation of the nanocatalysts, were scrutinized. The privileged antimicrobial characteristics, challenges, literature overview, and future prospectives were consistently investigated.