Computer-aided identification of lung cancer inhibitors through homology modeling and virtual screening
المؤلف
Abd al-Munsif, Abu Bakr Haridi
المصدر
The Egyptian Journal of Medical Human Genetics
العدد
المجلد 20، العدد 1 (31 يناير/كانون الثاني 2019)، ص ص. 1-14، 14ص.
الناشر
الجمعية المصرية للأمراض الوراثية
تاريخ النشر
2019-01-31
دولة النشر
مصر
عدد الصفحات
14
التخصصات الرئيسية
الموضوعات
الملخص EN
Background: Lung cancer is the most often event cancer around the world and the first leading cause of cancer death in human beings.
Rab39a protein is implicated in vesicular trafficking and fusion of phagosomes with lysosomes.
Rab39a is overexpressed in lung cancer, which converts normal cells to abnormal cells that reproduce quickly, and resists programmed cell death that usually kills aberrant cells.
Aim: In the present study, the structure-based drug discovery approach is applied to identify new lead structures as cancer drug candidates against Rab39a.
Methods: A valid three-dimensional (3D) model of Rab39a generation, the prediction of protein-protein interactions (Rab39a/DENND5B) and active site identification were achieved by computational techniques.
Results: Our studies suggest that the amino acid residues from PHE28 to LYS63 are important for binding with the ligand molecules.
Subsequently, the virtual screening study was carried out with ligand databases against the active site of Rab39a.
Conclusion: The ligand molecules with hetero amine moieties and amide group (-CONH-) have shown good value of docking score and agreeable ADME properties, so they were prioritized as potential inhibitors of Rab39a protein.
Hence, Rab39a has emerged as a therapeutic target for drug development towards lung cancer.
نمط استشهاد جمعية علماء النفس الأمريكية (APA)
Abd al-Munsif, Abu Bakr Haridi. 2019. Computer-aided identification of lung cancer inhibitors through homology modeling and virtual screening. The Egyptian Journal of Medical Human Genetics،Vol. 20, no. 1, pp.1-14.
https://search.emarefa.net/detail/BIM-893669
نمط استشهاد الجمعية الأمريكية للغات الحديثة (MLA)
Abd al-Munsif, Abu Bakr Haridi. Computer-aided identification of lung cancer inhibitors through homology modeling and virtual screening. The Egyptian Journal of Medical Human Genetics Vol. 20, no. 1 (2019), pp.1-14.
https://search.emarefa.net/detail/BIM-893669
نمط استشهاد الجمعية الطبية الأمريكية (AMA)
Abd al-Munsif, Abu Bakr Haridi. Computer-aided identification of lung cancer inhibitors through homology modeling and virtual screening. The Egyptian Journal of Medical Human Genetics. 2019. Vol. 20, no. 1, pp.1-14.
https://search.emarefa.net/detail/BIM-893669
نوع البيانات
مقالات
لغة النص
الإنجليزية
الملاحظات
Includes bibliographical references : p. 13-14
رقم السجل
BIM-893669
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