In Silico Investigation of Potential TRAF6 Inhibitor from Traditional Chinese Medicine against Cancers
المؤلفون المشاركون
Lee, Wen-Yuan
Chen, Calvin Yu-Chian
Chen, Calvin Yu-Chian
Chen, Kuan-Chung
المصدر
العدد
المجلد 2014، العدد 2014 (31 ديسمبر/كانون الأول 2014)، ص ص. 1-14، 14ص.
الناشر
Hindawi Publishing Corporation
تاريخ النشر
2014-06-25
دولة النشر
مصر
عدد الصفحات
14
التخصصات الرئيسية
الملخص EN
It has been indicated that tumor necrosis factor receptor-associated factor-6 (TRAF6) will upregulate the expression of hypoxia-inducible factor-1α (HIF-1α) and promote tumor angiogenesis.
TRAF6 proteins can be treated as drug target proteins for a differentiation therapy against cancers.
As structural disordered disposition in the protein may induce the side-effect and reduce the occupancy for ligand to bind with target protein, PONDR-Fit protocol was performed to predict the disordered disposition in TRAF6 protein before virtual screening.
TCM compounds from the TCM Database@Taiwan were employed for virtual screening to identify potent compounds as lead compounds of TRAF6 inhibitor.
After virtual screening, the MD simulation was performed to validate the stability of interactions between TRAF6 proteins and each ligand.
The top TCM compounds, tryptophan, diiodotyrosine, and saussureamine C, extracted from Saussurea lappa Clarke, Bos taurus domesticus Gmelin, and Lycium chinense Mill., have higher binding affinities with target protein in docking simulation.
However, the docking pose of TRAF6 protein with tryptophan is not stable under dynamic condition.
For the other two TCM candidates, diiodotyrosine and saussureamine C maintain the similar docking poses under dynamic conditions.
Hence, we propose the TCM compounds, diiodotyrosine and saussureamine C, as potential candidates as lead compounds for further study in drug development process with the TRAF6 protein against cancer.
نمط استشهاد جمعية علماء النفس الأمريكية (APA)
Chen, Kuan-Chung& Lee, Wen-Yuan& Chen, Calvin Yu-Chian& Chen, Calvin Yu-Chian. 2014. In Silico Investigation of Potential TRAF6 Inhibitor from Traditional Chinese Medicine against Cancers. BioMed Research International،Vol. 2014, no. 2014, pp.1-14.
https://search.emarefa.net/detail/BIM-471588
نمط استشهاد الجمعية الأمريكية للغات الحديثة (MLA)
Chen, Kuan-Chung…[et al.]. In Silico Investigation of Potential TRAF6 Inhibitor from Traditional Chinese Medicine against Cancers. BioMed Research International No. 2014 (2014), pp.1-14.
https://search.emarefa.net/detail/BIM-471588
نمط استشهاد الجمعية الطبية الأمريكية (AMA)
Chen, Kuan-Chung& Lee, Wen-Yuan& Chen, Calvin Yu-Chian& Chen, Calvin Yu-Chian. In Silico Investigation of Potential TRAF6 Inhibitor from Traditional Chinese Medicine against Cancers. BioMed Research International. 2014. Vol. 2014, no. 2014, pp.1-14.
https://search.emarefa.net/detail/BIM-471588
نوع البيانات
مقالات
لغة النص
الإنجليزية
الملاحظات
Includes bibliographical references
رقم السجل
BIM-471588
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