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Pancreatic lipase inhibition by papaverine : investigation by simulated molecular docking and subsequent in vitro evaluation
Other Title(s)
تثبيط خميرة لايبيز البنكرياس بوساطة الببفيرين : استكشاف عن طريق محاكاة الإرساء الجزيئي متبوعا بفحص مختبري لتقييم الفعالية
Author
Source
Jordan Journal of Pharmaceutical Sciences
Issue
Vol. 6, Issue 3 (30 Sep. 2013), pp.271-279, 9 p.
Publisher
University of Jordan Deanship of Academic Research (DAR)
Publication Date
2013-09-30
Country of Publication
Jordan
No. of Pages
9
Main Subjects
Pharmacy, Health & Medical Sciences
Topics
Abstract AR
من أجل تطوير دواء مضاد للسمنة من خلال التأثير المثبط لامتصاص الدهون الغذائية تم استكشاف التأثير المثبط لمركب الببفرين الألكلويدي على خميرة لايبيز البنكرياس.
و قد شمل البحث تجارب محاكاة الإرساء (simulated docking) لإرساء الببفرين داخل جيب الارتباط لخميرة لايبيز البنكرياس, و قد وجد أن الببفرين يرسو بسهولة و بشكل فراغي منخفض الطاقة في داخل جيب الارتباط, مثبتا نفسه بمجوعة من قوى التجاذب مع أحماض أمينية أساسية.
تجريبيا, وجد أن الببفرين يثبط خميرة لايبيز البنكرياس بشكل كبير بقيمة IC50 = 36.2 µg /ml(106.6 µM).
Abstract EN
In order to develop safe and effective lipid lowering drug that affecting the absorption of dietary lipids, the pancreatic lipase inhibitory effect of papaverine alkaloid was probed.
The investigation included molecular docking to fit papaverine into the binding site of pancreatic lipase employing optimal set of parameters succeeded in retrieving the closest model to the cocrystallized pose.
Docking simulation suggested four binding modes for papaverine.
The highest ranking binding mode have potential hydrophobic interactions with the key amino acids Phe-215, Ala-178, Pro-180 and Ala-259 and potential aromatic stacking between isoquinoline ring and Phe-77 and Tyr-114.
Moreover, papaverine forms strong hydrogen bonds with the key amino acid Ser-152 in the catalytic triad.
Experimentally, papaverine illustrated substantial in vitro inhibitory effect against PL with IC50 = 36.2 μg/ml (106.6 μM).
American Psychological Association (APA)
al-Misri, Ihab M.. 2013. Pancreatic lipase inhibition by papaverine : investigation by simulated molecular docking and subsequent in vitro evaluation. Jordan Journal of Pharmaceutical Sciences،Vol. 6, no. 3, pp.271-279.
https://search.emarefa.net/detail/BIM-340157
Modern Language Association (MLA)
al-Misri, Ihab M.. Pancreatic lipase inhibition by papaverine : investigation by simulated molecular docking and subsequent in vitro evaluation. Jordan Journal of Pharmaceutical Sciences Vol. 6, no. 3 (2013), pp.271-279.
https://search.emarefa.net/detail/BIM-340157
American Medical Association (AMA)
al-Misri, Ihab M.. Pancreatic lipase inhibition by papaverine : investigation by simulated molecular docking and subsequent in vitro evaluation. Jordan Journal of Pharmaceutical Sciences. 2013. Vol. 6, no. 3, pp.271-279.
https://search.emarefa.net/detail/BIM-340157
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references : p. 276-278
Record ID
BIM-340157