Newly designed thiazolidine-2,4-diones 3–7a–c were synthesized, and their anticancer activities were screened against three cancer lines. They showed potent activities against HepG2 compared to the other HCT116 and MCF-7 tumor cell lines. Compounds 7c and 6c were detected as highly effective derivatives against MCF-7 (IC₅₀ = 7.78 and 8.15 µM), HCT116 (IC₅₀ = 5.77 and 7.11 µM) and HepG2 (IC₅₀ = 8.82 and 8.99 µM). The highly effective derivatives 6a–c and 7a–c were tested against VERO normal cell lines. All derivatives were evaluated for their VEGFR-2 inhibitory actions and demonstrated high to low activities, with IC₅₀ values varying from 0.08 to 0.93 µM. Moreover, derivatives 5a–c, 6a–c and 7a–c were assessed to verify their in vitro binding affinities to PPARγ and insulin-secreting activities. Finally, docking studies were performed to explore their affinities and binding modes toward both VEGFR-2 and PPARγ receptors.

Novel azobenzene scaffold-joined heterocyclic isoxazole, pyrazole, triazole, and/or triazine moieties have been developed and synthesized utilizing microwave and traditional methods. Our compounds were tested for growth inhibition of A549, MCF-7, HCT-116, and HepG2 tumors by dual targeting the VEGFR-2 and EGFR^T790M enzymes. The suggested compound's manner of binding with EGFR^T790M and VEGFR-2 active sites was explored through molecular design and MD modeling. The information from the results of the biological screening and the docking studies was highly correlated. The A549 cell line was the one that responded to the novel compound's effects most effectively. Having IC₅₀ values of 5.15, 6.37, 8.44 and 6.23 μM, respectively, 14 was the most effective derivative on the four A549, MCF-7, HCT116 and HepG2 cancer cells. It had greater activity than erlotinib and slightly inferior activities on the tested cell lines than sorafenib, respectively. The cytotoxicity of the most effective derivatives, 5, 6, 10 and 14, was evaluated against typical VERO cell lines. Having IC₅₀ values ranging from 42.32 to 55.20 μM, the results showed that the investigated drugs have modest toxicity against VERO normal cells. Additionally all derivatives were assessed for their dual VEGFR-2 and EGFR^T790M inhibitory effects. Among them, derivatives 14, 5 and 10 were established as the greatest inhibitors of VEGFR-2 at IC₅₀ values of 0.95, 1.25 and 1.50 μM correspondingly. As well, derivatives 14, 6, 5 and 10 could inhibit EGFR^T790M activity demonstrating strongest effects with IC₅₀ = 0.25, 0.35, 0.40 and 0.50 μM respectively. Furthermore, the ADMET profile was evaluated for compounds 5, 6, 10 and 14 in contrast to reference drugs sorafenib and erlotinib.

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.

Objective: The objective of this study was to compare the quality of the amoxicillin trihydrate/potassium clavulantae (co-clavimox) tablets those are locally available in Libyan pharmaceutical market manufactured by various pharmaceutical companies with United State Pharmacopeia (USP) standards. Methods: The five popular brands (clavomid, augmentin, clavodar, clamoxin, and clavimox) of co-clavimox conventional tablet of 625 mg strength were chosen. The quality of commercial products was evaluated through the identification of the content of active pharmaceutical ingredients (APIs) using UV- Spectrophotometer. Results: The results obtained showed that, the products clavomid, augmentin, and clavodar conformed to the USP standard limit for quantitative assay of active ingredients. Clamoxin passed the standard limit test with a slight deviation (<2%), while clavimox failed the test with values far below the acceptable range. Conclusion: This study has been able to confirm that some generic brands of co-clavimox tablets available in the Libyan markets possess qualities below official recommendations. Therefore, there is an urgent need for constant monitoring of different brands of medications in the market to ensure their safety and quality.

The global escalation of antimicrobial resistance necessitates the exploration of plant‐based therapeutics with multi‐target mechanisms. This study provides a comprehensive evaluation of the Libyan Hibiscus sabdariffa L. calyx extract, encompassing phytochemical characterization, in vitro bioactivity, and in silico validation. Aqueous and ethanolic extracts were prepared and screened for antibacterial activity against clinically relevant multidrug‐resistant isolates (including determination of minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC)), antioxidant capacity via the 2,2‐diphenyl‐1‐picrylhydrazyl (DPPH) radical assay, anti‐inflammatory effects by measuring their inhibition of albumin denaturation, and cytotoxicity using the brine shrimp lethality model. Gas Chromatography–Mass Spectrometry (GC–MS) analysis of the ethanolic extract revealed that the predominant fatty acid esters were oleic acid methyl ester (41.01%) and palmitic acid methyl ester (28.76%). Both extracts exhibited broad‐spectrum antibacterial activity, with MIC values ranging from 6.25 to 25 mg/mL and MBC/MIC ratios ≤ 2, confirming their bactericidal activity. The aqueous and ethanolic extracts showed superior efficacy against Pseudomonas aeruginosa (20.0 ± 1.73 mm inhibition zone; MIC: 6.25 mg/mL) and Staphylococcus aureus (20.0 ± 1.00 mm; MIC: 6.25 mg/mL), respectively. The antioxidant activities were comparable (IC ₅₀ : 283.6 vs. 292.1 μg/mL). Remarkably, the aqueous extract demonstrated potent anti‐inflammatory activity (IC ₅₀ : 129.81 μg/mL) and showed low preliminary toxicity in the brine shrimp lethality assay (LD ₅₀ > 1000 μg/mL), whereas the ethanolic extract exhibited moderate toxicity (LD ₅₀ : 345.5 μg/mL). Preliminary phytochemical screening of the aqueous extract revealed the presence of anthocyanins, flavonoids, tannins, phenolics, saponins, and reducing sugars, with a total phenolic content of 184.3 ± 5.2 mg GAE/g and a total flavonoid content of 92.7 ± 3.8 mg QE/g. Molecular docking showed that the identified compounds, such as linoleic acid methyl ester, exhibited strong binding affinities to bacterial DNA gyrase (up to −5.9 kcal/mol) and inflammatory targets, including COX‐2, 5‐LOX, and TNF‐α. ADMET predictions indicated favorable pharmacokinetic profiles for these compounds. These findings scientifically validate the traditional use of H. sabdariffa and highlight the potential of its aqueous extract as a promising source of bioactive compounds warranting further preclinical investigation for functional food and complementary health applications.