Molecular Insights into Tumor Marker Detection via Aptasensor Screening
محل انتشار: بیست و یکمین کنفرانس شیمی فیزیک انجمن شیمی ایران
سال انتشار: 1397
نوع سند: مقاله کنفرانسی
زبان: انگلیسی
مشاهده: 338
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شناسه ملی سند علمی:
ISPTC21_132
تاریخ نمایه سازی: 30 دی 1397
چکیده مقاله:
Biosensors as potential systems provide a sensitive approach for cancer biomarkerdetection [1]. A kind of bio‒recognition molecules are aptamers, single‒stranded DNA orRNA sequences which bind specifically to a wide range of target molecules such as tumormarkers [2]. Experimental studies have been demonstrated that the aptamer anti-MUC1 S1.3binds with high affinity and selectivity to the MUC1 peptides which is considered as anefficient biomarker for cancers [3]. In the present study, a computational molecular modelingwas employed to evaluate the interactions between aptamer–nitrogen doped graphene oxide(Apta–NGO) system and MUC1-G peptide in order to examine its application in sensors. Inthis regard, Pymol software was used to create the initial configuration of the Apta–NGOand MUC1-G peptide molecular system. Molecular dynamics (MD) simulations wereperformed using the Amber 12 and AmberTools 12 programs. The ff99SB and generalAmber force field (GAFF) were used to generate the required files for the MDsimulations[4].In order to study on the origin of tendency of the aptamer S1.3 to the target peptidein the designed system, molecular quantities between MUC1‒G peptide and aptamer weremeasured. Analysis of structural parameters revealed the conformational flexibility andstability of the interactions in the studied aqueous complex. Therefore, Apta–NGO systemcan apply as an aptasensor for detection of MUC1 peptides.
کلیدواژه ها:
نویسندگان
Maryam Monsefi
Faculty of Chemical and Petroleum Engineering, University of Tabriz, ۵۱۶۶۶۱۶۴۷۱ Tabriz
Hamid Erfan-Niya
Faculty of Chemical and Petroleum Engineering, University of Tabriz, ۵۱۶۶۶۱۶۴۷۱ Tabriz