Novel T-C@AgNPs mediated biocidal mechanism against biofilm associated methicillin-resistant Staphylococcus aureus (Bap-MRSA) 090, cytotoxicity and its molecular docking studies,RSC Medicinal Chemistry

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Novel T-C@AgNPs mediated biocidal mechanism against biofilm associated methicillin-resistant Staphylococcus aureus (Bap-MRSA) 090, cytotoxicity and its molecular docking studies
RSC Medicinal Chemistry ( IF 4.1 ) Pub Date : 2017-10-31 00:00:00 , DOI: 10.1039/c7md00486a
H. M. Manukumar _{1,

2,

3,

4} , B. Chandrasekhar _{1,

2,

3,

4} , K. P. Rakesh _{5,

6,

7,

8,

9} , A. P. Ananda _{4,

10,

11,

12} , M. Nandhini _{1,

2,

3,

4} , P. Lalitha _{4,

13,

14,

15} , S. Sumathi _{4,

14,

15,

16} , Hua-Li Qin _{5,

6,

7,

8,

9} , S. Umesha _{1,

2,

3,

4}

Affiliation

Department of Studies in Biotechnology
University of Mysore
Mysuru-570006
India
Department of Pharmaceutical Engineering
School of Chemistry
Chemical Engineering and Life Science
Wuhan University of Technology
Wuhan
Ganesh Consultancy and Analytical Services
Hebbal Industrial Area
Mysuru-570016
Department of Chemistry
Avinashilingam Institute for Home Science and Higher Education for Women University
Coimbatore
Department of Biochemistry

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介导的抗生物膜相关耐甲氧西林金黄色葡萄球菌（Bap-MRSA）090的杀生物机制，细胞毒性及其分子对接研究

金黄色葡萄球菌是一种常见病原体，可导致食物腐败和威胁生命的感染。但是，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作用仍不清楚。文献资料中的空白促使我们研究了百里香酚负载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，以及它们的毒性，抗癌活性，并进行了计算机分子对接的验证。结果显示，TC @ AgNPs对Bap-MRSA 090具有优异的抗菌活性，最低抑菌浓度为100μgmL ^-1以及10.08±0.06 mm的抑制区（ZOI）。循环伏安图（CV）分析清楚地表明，浓度为300μgmL ^-1时TC @ AgNPs形成孔，并且清楚地看到了电子传输链中断的证据。在200微克毫升^-1浓度TC表现出52.60±0.25％抗生物属性@针对的AgNPs Bap的-MRSA 090的TC @的AgNPs显示无毒性到外周血单核细胞（PBMC）（IC ₅₀ = 221±0.71微克毫升^-1）相比于对照，和抗癌活性的抗人三阴性乳腺癌细胞系（MDA-MB-231）（IC ₅₀ 110±1.0微克毫升^-1）相对于标准药物多柔比星（IC ₅₀= 19±1.0）。TC @ AgNPs的优异性能已通过计算机分子对接研究的验证，与标准蛋白相比，与目标蛋白的匹配得分最高。TC @ AgNPs的这些优异性能首次突显了其药理学和在药物开发应用中的潜力，可用于未来研究。

更新日期：2017-11-14

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