Peptides Trapping Dioxins : A Docking-Based Inverse Screening Approach
المؤلفون المشاركون
Compagnone, Dario
Mascini, Marcello
Del Carlo, Michele
Esposito, Mauro
Sergi, Manuel
Lanzone, Valentina
Perez, German
المصدر
العدد
المجلد 2013، العدد 2013 (31 ديسمبر/كانون الأول 2013)، ص ص. 1-8، 8ص.
الناشر
Hindawi Publishing Corporation
تاريخ النشر
2013-09-04
دولة النشر
مصر
عدد الصفحات
8
التخصصات الرئيسية
الملخص EN
A rapid and cost-effective computational methodology for designing and rationalizing the selection of small peptides as receptors for dioxin-like compounds was proposed.
The backbone of the dioxin Ah receptor binding site was used to design a series of penta- and hexapeptide libraries, with 1400 elements in total.
Peptide flexibility was considered and 10 conformers were found to be a good option to represent peptide conformational space with fair speed-accuracy ratio.
Each peptide conformer was treated as a possible receptor, generating a dedicated box and then running a docking process using as ligands a family of 76 dibenzo-p-dioxins and 113 dibenzofurans mono- and polychlorinated.
Significant predictions were confirmed by comparing primary structure of top and bottom ranked peptides binding dioxins confirming that scrambled positions of the same amino acids gave completely different predicted binding.
The hexapeptide EWFQPW, with the best binding score, was chosen as selective sorbent material in solid-phase extraction.
The retention performances were tested using the 2,3,7,8-tetrachlorodibenzo-p-dioxin and two polychlorinated biphenyls in order to verify the hexapeptide specificity.
The solid-phase extraction experimental procedure was optimized, and analytical parameters of hexapeptide sorbent material were compared with the resin without hexapeptide and a commercial reversed phase cartridge.
نمط استشهاد جمعية علماء النفس الأمريكية (APA)
Perez, German& Mascini, Marcello& Lanzone, Valentina& Sergi, Manuel& Del Carlo, Michele& Esposito, Mauro…[et al.]. 2013. Peptides Trapping Dioxins : A Docking-Based Inverse Screening Approach. Journal of Chemistry،Vol. 2013, no. 2013, pp.1-8.
https://search.emarefa.net/detail/BIM-475896
نمط استشهاد الجمعية الأمريكية للغات الحديثة (MLA)
Perez, German…[et al.]. Peptides Trapping Dioxins : A Docking-Based Inverse Screening Approach. Journal of Chemistry No. 2013 (2013), pp.1-8.
https://search.emarefa.net/detail/BIM-475896
نمط استشهاد الجمعية الطبية الأمريكية (AMA)
Perez, German& Mascini, Marcello& Lanzone, Valentina& Sergi, Manuel& Del Carlo, Michele& Esposito, Mauro…[et al.]. Peptides Trapping Dioxins : A Docking-Based Inverse Screening Approach. Journal of Chemistry. 2013. Vol. 2013, no. 2013, pp.1-8.
https://search.emarefa.net/detail/BIM-475896
نوع البيانات
مقالات
لغة النص
الإنجليزية
الملاحظات
Includes bibliographical references
رقم السجل
BIM-475896
قاعدة معامل التأثير والاستشهادات المرجعية العربي "ارسيف Arcif"
أضخم قاعدة بيانات عربية للاستشهادات المرجعية للمجلات العلمية المحكمة الصادرة في العالم العربي
تقوم هذه الخدمة بالتحقق من التشابه أو الانتحال في الأبحاث والمقالات العلمية والأطروحات الجامعية والكتب والأبحاث باللغة العربية، وتحديد درجة التشابه أو أصالة الأعمال البحثية وحماية ملكيتها الفكرية. تعرف اكثر