Musini Anjaneyulu, Singh Himanshu Narayan, Vulise Jhansi, Pammi S S Sravanthi
Centre for Biotechnology, University College of Engineering, Science and Technology Hyderabad, Jawaharlal Nehru Technological University Hyderabad, 500085, India.
Department of Systems Biology, Columbia University Irving Medical Centre, New York, USA.
Res Microbiol. 2024 Mar-Apr;175(3):104091. doi: 10.1016/j.resmic.2023.104091. Epub 2023 Jun 16.
Staphylococcus aureus is typically treated with antibiotics, however, due to its widespread and unselective usage, resistant strains of S. aureus have increased to a great extent. Treatment failure and recurring staphylococcal infections are also brought on by biofilm development, which boosts an organism's ability to withstand antibiotics and is thought to be a virulence factor in patients. The present study investigates the antibiofilm activity of naturally available polyphenol Quercetin against drug-resistant S. aureus. Micro dilution plating and tube adhesion methods were performed to evaluate the antibiofilm activity of quercetin against S. aureus. Quercetin treatment resulted in remarkably reduction of biofilm in S. aureus cells. Further we performed a study to investigate binding efficacies of quercetin with genes icaB and icaC from ica locus involved in biofilm formation. 3D structure of icaB, icaC and quercetin were retrieved from Protein data bank and PubChem chemical compound database, respectively. All computational simulation were carried out using AutoDock Vina and AutoDockTools (ADT) v 1.5.4. In silico study demonstrated a strong complex formation, large binding constants (K) and low free binding energy (ΔG) between quercetin and icaB (K = 1.63 × 10, ΔG = -7.2 k cal/mol) and icaC (K = 1.98 × 10, ΔG = -8.7 kcal/mol). This in silico analysis indicates that quercetin is capable of targeting icaB and icaC proteins which are essential for biofilm formation in S. aureus. Our study highlighted the antibiofilm activity of quercetin against drug resistant pathogen S.aureus.
金黄色葡萄球菌通常用抗生素治疗，然而，由于其广泛且无选择性的使用，耐甲氧西林金黄色葡萄球菌菌株已大幅增加。生物膜的形成也会导致治疗失败和葡萄球菌感染复发，生物膜的形成增强了生物体对抗生素的耐受能力，被认为是患者的一个毒力因素。本研究调查了天然存在的多酚槲皮素对耐药金黄色葡萄球菌的抗生物膜活性。采用微量稀释平板法和试管黏附法评估槲皮素对金黄色葡萄球菌的抗生物膜活性。槲皮素处理显著减少了金黄色葡萄球菌细胞中的生物膜。此外，我们进行了一项研究，以调查槲皮素与参与生物膜形成的ica基因座中的icaB和icaC基因的结合效率。icaB、icaC和槲皮素的三维结构分别从蛋白质数据库和PubChem化合物数据库中检索。所有计算模拟均使用AutoDock Vina和AutoDockTools（ADT）v 1.5.4进行。计算机模拟研究表明，槲皮素与icaB（K = 1.63 × 10，ΔG = -7.2 kcal/mol）和icaC（K = 1.98 × 10，ΔG = -8.7 kcal/mol）之间形成了强复合物，具有较大的结合常数（K）和较低的自由结合能（ΔG）。这种计算机分析表明，槲皮素能够靶向icaB和icaC蛋白，而这些蛋白对金黄色葡萄球菌生物膜的形成至关重要。我们的研究突出了槲皮素对耐药病原体金黄色葡萄球菌的抗生物膜活性。
