Computational Prediction and Analysis of Interaction of Silver Nitrate with Peptidoglycan-Associated lipoprotein (Pal)

Mohammad Mehrasa, S. R. Zaker, Behrouz Larki, M. Mehmandoust, H. Baghshahi, M. Sekhavati, S. Gavanji
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引用次数: 2

Abstract

Silver nitrate is an inorganic compound with chemical formula AgNO3. Silver or silver ions have long been used in many areas due to their strong antimicrobial activity against pathogenic microbes such as bacteria, yeast, fungi and algae. The protein Pal (peptidoglycan-associated lipoprotein) is anchored in the outer membrane (OM) of Gram-negative bacteria and interacts with Tol proteins. We used Molegro virtual docker (MVD). The results obtained from docking showed us that the best pose which is derived from MolDock score for Chitinase was -23.4702 with reranking score equal to -33.6883. Bioinformatic studies show that silver nitrate has interaction with protein Pal.
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硝酸银与肽聚糖相关脂蛋白相互作用的计算预测与分析
硝酸银是一种化学式为AgNO3的无机化合物。银或银离子对细菌、酵母菌、真菌和藻类等病原微生物具有很强的抗菌活性,长期以来被广泛应用于许多领域。蛋白质Pal(肽聚糖相关脂蛋白)锚定在革兰氏阴性菌的外膜(OM)中,并与Tol蛋白相互作用。我们使用Molegro虚拟docker (MVD)。对接结果表明,几丁质酶MolDock评分的最佳位姿为-23.4702,重排序得分为-33.6883。生物信息学研究表明硝酸银与蛋白Pal有相互作用。
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