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Target Based Designing of Anthracenone Derivatives as Tubulin Polymerization Inhibiting Agents : 3D QSAR and Docking Approach
المؤلفون المشاركون
Bakht, Mohammed Afroz
Samad, Abdul
Malhotra, Manav
Ganaie, Majid A.
Naffaa, Moawiah M.
المصدر
International Journal of Medicinal Chemistry
العدد
المجلد 2014، العدد 2014 (31 ديسمبر/كانون الأول 2014)، ص ص. 1-15، 15ص.
الناشر
Hindawi Publishing Corporation
تاريخ النشر
2014-04-17
دولة النشر
مصر
عدد الصفحات
15
التخصصات الرئيسية
الملخص EN
Novel anthracenone derivatives were designed through in silico studies including 3D QSAR, pharmacophore mapping, and molecular docking approaches.
Tubulin protein was explored for the residues imperative for activity by analyzing the binding pattern of colchicine and selected compounds of anthracenone derivatives in the active domain.
The docking methodology applied in the study was first validated by comparative evaluation of the predicted and experimental inhibitory activity.
Furthermore, the essential features responsible for the activity were established by carrying out pharmacophore mapping studies.
3D QSAR studies were carried out for a series of 1,5- and 1,8-disubstituted10-benzylidene-10H-anthracen-9-ones and 10-(2-oxo-2-phenylethylidene)-10H-anthracen-9-one derivatives for their antiproliferation activity.
Based on the pattern recognition studies obtained from QSAR results, ten novel compounds were designed and docked in the active domain of tubulin protein.
One of the novel designed compounds “N1” exhibited binding energy −9.69 kcal/mol and predicted Ki 78.32 nM which was found to be better than colchicine.
نمط استشهاد جمعية علماء النفس الأمريكية (APA)
Samad, Abdul& Naffaa, Moawiah M.& Bakht, Mohammed Afroz& Malhotra, Manav& Ganaie, Majid A.. 2014. Target Based Designing of Anthracenone Derivatives as Tubulin Polymerization Inhibiting Agents : 3D QSAR and Docking Approach. International Journal of Medicinal Chemistry،Vol. 2014, no. 2014, pp.1-15.
https://search.emarefa.net/detail/BIM-488856
نمط استشهاد الجمعية الأمريكية للغات الحديثة (MLA)
Samad, Abdul…[et al.]. Target Based Designing of Anthracenone Derivatives as Tubulin Polymerization Inhibiting Agents : 3D QSAR and Docking Approach. International Journal of Medicinal Chemistry No. 2014 (2014), pp.1-15.
https://search.emarefa.net/detail/BIM-488856
نمط استشهاد الجمعية الطبية الأمريكية (AMA)
Samad, Abdul& Naffaa, Moawiah M.& Bakht, Mohammed Afroz& Malhotra, Manav& Ganaie, Majid A.. Target Based Designing of Anthracenone Derivatives as Tubulin Polymerization Inhibiting Agents : 3D QSAR and Docking Approach. International Journal of Medicinal Chemistry. 2014. Vol. 2014, no. 2014, pp.1-15.
https://search.emarefa.net/detail/BIM-488856
نوع البيانات
مقالات
لغة النص
الإنجليزية
الملاحظات
Includes bibliographical references
رقم السجل
BIM-488856
قاعدة معامل التأثير والاستشهادات المرجعية العربي "ارسيف Arcif"
أضخم قاعدة بيانات عربية للاستشهادات المرجعية للمجلات العلمية المحكمة الصادرة في العالم العربي
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