Staphylococcus aureus is a commonly found pathogen that can cause food-spoilage and life threatening infections. However, the potential molecular effects of natural active thymol molecules and chitosan silver nanoparticles (C@AgNPs) in bacteria remain unclear. This gap in the literature has prompted us to study the effects of thymol loaded chitosan silver nanoparticles (T-C@AgNPs) against biofilm associated proteins in methicillin-resistant S. aureus (Bap-MRSA) 090 and also their toxicity, anti-cancer activity, and validation of their in silico molecular docking. The results showed excellent antibacterial activity of T-C@AgNPs against Bap-MRSA 090, having a minimum inhibitory concentration of 100 μg mL⁻¹ and a 10.08 ± 0.06 mm zone of inhibition (ZOI). The cyclic voltammogram (CV) analysis clearly showed pore forming of T-C@AgNPs at 300 μg mL⁻¹ concentration, and evidence of the interruption of the electron transport chain was clearly seen. The 200 μg mL⁻¹ concentration exhibited a 52.60 ± 0.25% anti-biofilm property by T-C@AgNPs against Bap-MRSA 090. The T-C@AgNPs showed no toxicity to peripheral blood mononuclear cells (PBMC) (IC₅₀ = 221 ± 0.71 μg mL⁻¹) compared to the control, and anti-cancer activity against human triple negative breast cancer cell line (MDA-MB-231) (IC₅₀ 110 ± 1.0 μg mL⁻¹) compared to the standard drug Doxorubicin (IC₅₀ = 19 ± 1.0). The excellent properties of T-C@AgNPs were validated by in silico molecular docking studies and showed best match scoring to target proteins compared to standards. These excellent properties of T-C@AgNPs highlight for the first time its pharmacology and potential in medicinal drug development applications for future research.

中文翻译：

---

新型TC@AgNPs介导的生物膜相关耐甲氧西林金黄色葡萄球菌（Bap-MRSA）090的杀菌机制、细胞毒性及其分子对接研究

金黄色葡萄球菌是一种常见的病原体，可导致食物腐败和危及生命的感染。然而，天然活性百里酚分子和壳聚糖银纳米颗粒（C@AgNPs）在细菌中的潜在分子效应仍不清楚。文献中的这一空白促使我们研究负载百里酚的壳聚糖银纳米颗粒 (TC@AgNPs) 对耐甲氧西林金黄色葡萄球菌(Bap-MRSA) 090中生物膜相关蛋白的影响及其毒性、抗癌活性、并验证它们的计算机分子对接。结果表明，TC@AgNPs对Bap-MRSA 090具有优异的抗菌活性，其最小抑菌浓度为100 μg mL ^-1，抑制区（ZOI）为10.08 ± 0.06 mm。^{循环伏安（CV）分析清楚地显示TC@AgNPs在300 μg mL -1}浓度下形成孔，并且清楚地看到电子传递链中断的证据。200 μg mL ^-1浓度下，TC@AgNPs 对 Bap-MRSA 090 表现出 52.60 ± 0.25% 的抗生物膜特性。TC@AgNPs 对外周血单核细胞 (PBMC) 无毒性 (IC 50 = 221 ± 0.71 _μg ) mL ⁻¹ ) 与对照相比，以及对人三阴性乳腺癌细胞系 (MDA-MB-231) 的抗癌活性 (IC ₅₀ 110 ± 1.0 μg mL ⁻¹ ) 与标准药物阿霉素相比 (IC ₅₀ = 19±1.0）。TC@AgNPs 的优异特性通过计算机分子对接研究得到验证，并与标准相比显示出与目标蛋白的最佳匹配评分。TC@AgNPs 的这些优异特性首次凸显了其药理学和在未来研究的药物开发应用中的潜力。