In Silico Investigation of Potential mTOR Inhibitors from Traditional Chinese Medicine for Treatment of Leigh Syndrome
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. 1-9، 9ص.
الناشر
Hindawi Publishing Corporation
تاريخ النشر
2014-06-23
دولة النشر
مصر
عدد الصفحات
9
التخصصات الرئيسية
الملخص EN
A recent research demonstrates that the inhibition of mammalian target of rapamycin (mTOR) improves survival and health for patients with Leigh syndrome.
mTOR proteins can be treated as drug target proteins against Leigh syndrome and other mitochondrial disorders.
In this study, we aim to identify potent TCM compounds from the TCM Database@Taiwan as lead compounds of mTOR inhibitors.
PONDR-Fit protocol was employed to predict the disordered disposition in mTOR protein before virtual screening.
After virtual screening, the MD simulation was employed to validate the stability of interactions between each ligand and mTOR protein in the docking poses from docking simulation.
The top TCM compounds, picrasidine M and acerosin, have higher binding affinities with target protein in docking simulation than control.
There have H-bonds with residues Val2240 and π interactions with common residue Trp2239.
After MD simulation, the top TCM compounds maintain similar docking poses under dynamic conditions.
The top two TCM compounds, picrasidine M and acerosin, were extracted from Picrasma quassioides (D.
Don) Benn.
and Vitex negundo L.
Hence, we propose the TCM compounds, picrasidine M and acerosin, as potential candidates as lead compounds for further study in drug development process with the mTOR protein against Leigh syndrome and other mitochondrial disorders.
نمط استشهاد جمعية علماء النفس الأمريكية (APA)
Chen, Kuan-Chung& Chen, Calvin Yu-Chian& Lee, Wen-Yuan& Chen, Calvin Yu-Chian. 2014. In Silico Investigation of Potential mTOR Inhibitors from Traditional Chinese Medicine for Treatment of Leigh Syndrome. BioMed Research International،Vol. 2014, no. 2014, pp.1-9.
https://search.emarefa.net/detail/BIM-448867
نمط استشهاد الجمعية الأمريكية للغات الحديثة (MLA)
Chen, Kuan-Chung…[et al.]. In Silico Investigation of Potential mTOR Inhibitors from Traditional Chinese Medicine for Treatment of Leigh Syndrome. BioMed Research International No. 2014 (2014), pp.1-9.
https://search.emarefa.net/detail/BIM-448867
نمط استشهاد الجمعية الطبية الأمريكية (AMA)
Chen, Kuan-Chung& Chen, Calvin Yu-Chian& Lee, Wen-Yuan& Chen, Calvin Yu-Chian. In Silico Investigation of Potential mTOR Inhibitors from Traditional Chinese Medicine for Treatment of Leigh Syndrome. BioMed Research International. 2014. Vol. 2014, no. 2014, pp.1-9.
https://search.emarefa.net/detail/BIM-448867
نوع البيانات
مقالات
لغة النص
الإنجليزية
الملاحظات
Includes bibliographical references
رقم السجل
BIM-448867
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