This paper presents an extensive analysis of COVID-19 with a specific focus on VEGFR-2 inhibitors as potential treatments. The investigation includes an overview of computational methodologies employed in drug repurposing and highlights in silico research aimed at developing treatments for SARS-CoV-2. The study explores the possible effects of twenty-eight established VEGFR-2 inhibitors, which include amide and urea linkers, against SARS-CoV-2. Among these, nine inhibitors exhibit highly promising in silico outcomes (designated as 3–6, 11, 24, 26, 27, and sorafenib) and are subjected to extensive molecular dynamics (MD) simulations to evaluate the binding modes and affinities of these inhibitors to the SARS-CoV-2 M^pro across a 100 ns timeframe. Additionally, MD simulations are conducted to ascertain the binding free energy of the most compelling ligand–pocket complexes identified through docking studies. The findings provide valuable understanding regarding the dynamic and thermodynamic properties of the interactions between ligands and pockets, reinforcing the outcomes of the docking studies and presenting promising prospects for the creation of therapeutic treatments targeting COVID-19.

Sepsis-associated acute kidney injury (S-AKI) represents a significant health problem associated with adverse outcomes. Our study aimed to assess the value of serum cystatin-C (sCysC) and TNF-α (rs361525) in combination for diagnosing S-AKI patients and predicting their adverse outcomes. The study included 100 critically ill neonates and 100 controls. Patients were categorized into an S-AKI group and a non-AKI group. TNF-α (−238, rs361525) genotyping was performed using RT-PCR, and sCysC was assessed using ELISA. Our study showed a fundamental difference in the genotype frequencies of TNF-α (−238, rs361525) and SNP between S-AKI and non-AKI patients. Furthermore, there was a significant relationship between cystatin C and TNF-α (−238, rs361525), where cystatin C was higher in patients with AA alleles than in patients with GA and GG alleles. Combining GA + AA genotypes with elevated serum cystatin-C levels can serve as a potential diagnostic and prognostic biomarker for AKI development in this population. The GA/AA genotypes independently predicted S-AKI risk (OR = 6.64, p < 0.001). At the same time, elevated sCysC (>9.4 mg/L) emerged as a sensitive biomarker (AUC = 0.848) and independent predictor of adverse outcomes. Collectively, these findings contribute to the growing field of personalized medicine and represent a strategic advantage, enabling prevention-focused care rather than the treatment of established disease.

Obesity remains a global health crisis, with limited therapeutic options for addressing metabolic dysfunction and inflammation. This study evaluates the therapeutic potential of Moringa Oleifera-loaded silver nanoparticles (MO-AgNPs) in modulating obesity-related biochemical and genetic markers. To optimize the synthesis of MO-AgNPs, Response Surface Methodology (RSM) using Design Expert software was employed to identify the optimal conditions for minimizing particle size, polydispersity index, and maximizing zeta potential. Male albino rats with high-carbohydrate, high-fat diet (HCHFD)-induced obesity were treated with AgNPs, Moringa Oleifera extract, or MO-AgNPs. Key assessments included biochemical markers, lipid profiles, adipokines, and the expression of thermogenic and metabolic genes (UCP1, PPARGC1A), along with histopathological evaluation of liver and pancreatic tissues. Transmission electron microscopy revealed spherical particles with an average size of approximately 40 nm, consistent with dynamic light scattering data. Treatment with MO-AgNPs significantly enhanced insulin sensitivity, improved lipid profiles, and regulated adipokine levels, while upregulating UCP1 and PPARGC1A expression more effectively than other treatments. Histological analysis demonstrated substantial restoration of liver and pancreatic tissue architecture, highlighting the protective effects of MO-AgNPs. Overall, MO-AgNPs represent an innovative therapeutic strategy, combining the bioactive properties of Moringa Oleifera with the enhanced functionality of silver nanoparticles, showing strong potential for addressing obesity and its associated metabolic complications. Graphical Abstract