Enzyme Inhibitory Kinetics and Molecular Docking Studies of Halo-Substituted Mixed EsterAmide-Based Derivatives as Jack Bean Urease Inhibitors
المؤلفون المشاركون
Abbas, Qamar
Iqbal, Zafar
Rashid, Muhammad
Rafique, Hummera
Roshan, Sadia
Shamas, Shazia
Ashraf, Zaman
Hassan, Mubashir
Qureshi, Zia Ur Rahman
Asad, Muhammad Hassham Hassan Bin
المصدر
العدد
المجلد 2020، العدد 2020 (31 ديسمبر/كانون الأول 2020)، ص ص. 1-11، 11ص.
الناشر
Hindawi Publishing Corporation
تاريخ النشر
2020-12-24
دولة النشر
مصر
عدد الصفحات
11
التخصصات الرئيسية
الملخص EN
A series of halo-substituted mixed ester/amide-based analogues 4a-l have been prepared as jack bean urease inhibitor, which showed good to excellent inhibition of enzyme activity.
The role of halo-substituted benzoyl moieties and alkyl substituted anilines in urease inhibitory kinetics was also investigated.
The alkyl-substituted anilines 1a–b reacted with chloroacetyl chloride to afford intermediates 2a-b, which were then reacted with different halo-substituted benzoic acids 3a–f to prepare the title compounds 4a-l.
The chemical structures of final products 4a-l were ascertained by FTIR, 1H NMR, 13C NMR, and mass spectra.
The compound 4b showed remarkable activity with IC501.6±0.2 nM, better than the standard thiourea having IC50472.1±135.1 nM.
The 2-chloro-substituted phenyl ring on one side of compound 4b and 4-isopropyl-substituted benzene on the other side play an essential role in inhibition of urease activity.
Lineweaver–Burk plots (kinetics study) indicated about 4b derivative as a mixed type of inhibitor.
The virtual screening performed against urease enzyme (PDBID 4H9M) showed that compounds 4b and 4e have binding energies of −7.8 and −7.9 Kcal/mol, respectively.
Based upon our results, it was found that derivative 4b is a highly potent urease inhibitor, better than the standard thiourea.
نمط استشهاد جمعية علماء النفس الأمريكية (APA)
Rashid, Muhammad& Rafique, Hummera& Roshan, Sadia& Shamas, Shazia& Iqbal, Zafar& Ashraf, Zaman…[et al.]. 2020. Enzyme Inhibitory Kinetics and Molecular Docking Studies of Halo-Substituted Mixed EsterAmide-Based Derivatives as Jack Bean Urease Inhibitors. BioMed Research International،Vol. 2020, no. 2020, pp.1-11.
https://search.emarefa.net/detail/BIM-1137792
نمط استشهاد الجمعية الأمريكية للغات الحديثة (MLA)
Rashid, Muhammad…[et al.]. Enzyme Inhibitory Kinetics and Molecular Docking Studies of Halo-Substituted Mixed EsterAmide-Based Derivatives as Jack Bean Urease Inhibitors. BioMed Research International No. 2020 (2020), pp.1-11.
https://search.emarefa.net/detail/BIM-1137792
نمط استشهاد الجمعية الطبية الأمريكية (AMA)
Rashid, Muhammad& Rafique, Hummera& Roshan, Sadia& Shamas, Shazia& Iqbal, Zafar& Ashraf, Zaman…[et al.]. Enzyme Inhibitory Kinetics and Molecular Docking Studies of Halo-Substituted Mixed EsterAmide-Based Derivatives as Jack Bean Urease Inhibitors. BioMed Research International. 2020. Vol. 2020, no. 2020, pp.1-11.
https://search.emarefa.net/detail/BIM-1137792
نوع البيانات
مقالات
لغة النص
الإنجليزية
الملاحظات
Includes bibliographical references
رقم السجل
BIM-1137792
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