Molecular docking study for evaluation of neuroprotective potential of sericin against cerebral stroke and exploring its biomaterial properties

K. Maurya, A. Pandey
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引用次数: 4

Abstract

Background: Cerebral stroke, the third leading cause of death worldwide results from the improper blood supply to the brain due to occlusions in the brain arteries. This leads to production of free radicals contributed by cyclo-oxygenases (COX), acid sensing ion channels (ASIC) and matrix metalloproteinases (MMPs) causing adverse conditions of inflammation, oxidative stress, and acidosis leading to neuronal death thereby proving these enzymes as potent targets. Sericin, a 38 amino acid long protein found in silk fiber is known for its anti-inflammatory and anti-oxidant property. Aim and Objectives: Inhibition of the above-mentioned targets by silk protein sericin to reduce the pathological features by structural interactions as well as reducing inflammation and oxidative stress due to the natural properties of compound. Methodology: In the present study we studied structural inhibition of effective targets by sericin through molecular docking analysis. Also, the semi crystalline nature of sericin was deduced through in silico XRD spectral analysis. Result: Structural inhibition through molecular docking analysis proved highly efficient inhibition. Also, the in silico XRD spectral analysis proved sericin to be a potential biomaterial for scaffold development. Conclusion: Sericin can not only act as an effective drug against cerebral ischemia but can also be used to develop scaffold to repair damaged brain.
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丝胶蛋白抗脑卒中神经保护潜能的分子对接研究及生物材料性能探索
背景:脑卒中是世界范围内第三大死亡原因,其原因是脑动脉闭塞导致脑供血不正常。这导致自由基的产生,由环加氧酶(COX)、酸感离子通道(ASIC)和基质金属蛋白酶(MMPs)贡献,导致炎症、氧化应激和酸中毒的不利条件,导致神经元死亡,从而证明这些酶是有效的靶点。丝胶蛋白是一种在丝绸纤维中发现的含有38个氨基酸的长蛋白质,以其抗炎和抗氧化特性而闻名。目的:丝胶蛋白抑制上述靶点,通过结构相互作用减少病理特征,同时由于化合物的天然性质减少炎症和氧化应激。方法:本研究通过分子对接分析研究丝胶蛋白对有效靶点的结构抑制作用。通过XRD光谱分析,推导出丝胶的半结晶性质。结果:通过分子对接分析发现结构抑制效果良好。同时,通过对丝胶蛋白的XRD光谱分析,证明丝胶蛋白是一种潜在的生物支架材料。结论:丝胶蛋白不仅可作为抗脑缺血的有效药物,而且可用于构建脑损伤修复支架。
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