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Title |
Predicting the possibility of two newly isolated phenetheren ring containing compounds from Aristolochia manshuriensis as CDK2 inhibitors |
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Authors |
Ali Abdullah Alshatwi*, Tarique Noorul Hasan, Naveed Ahmed Syed, Gowhar Shaf |
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Affiliation |
Molecular Cancer Biology Research Lab, Dept. of Food Science and Nutrition, College of Food and Agricultural Sciences, King Saud University, Saudi Arabia
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alialshatwi@gmail.com; *Corresponding author
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Article Type |
Hypothesis
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Date |
Received November 16, 2011; Accepted November 16, 2011; Published December 10, 2011
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Abstract |
Aristolochia manshuriensis has been used for centuries in Chinese medicinal system for their versatile medicinal uses. Recent studies have revealed two new aristolactames (compound A and B) with ?-lactame ring fused with the phenentherene ring as potent inhibitors of human Cycline Dependent Kinase2 (CDK2). Studies on aristolactames and related compounds claim for their CDK2 inhibition without delineating the involved mechanism and structural basis of interaction. Molecular structural model was used to we propose a structural basis of CDK2 inhibition. We showed that these compounds (A and B) can successfully dock into the inhibitor binding pockets of human CDK2. Predicted binding affinities are comparable to known inhibitors of CDK2. Results were in agreement with the earlier biochemical studies. Hence, suggest that studied compounds A and B can be a promising scaffold for rational design of novel and potential drugs against cancer.
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Keywords |
Aristolactame, Cycline Dependent Kinase2, Docking, AutoDock, Molecular docking Server.
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Citation |
Alshatwi et al.
Bioinformation 7(7): 334-338 (2011) |
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Edited by |
P Kangueane
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ISSN |
0973-2063
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Publisher |
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Copyright |
Publisher
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Copyright Transfer Agreement |
The authors of published articles in Bioinformation automatically transfer the copyright to the publisher upon formal acceptance. However, the authors reserve right to use the information contained in the article for non commercial purposes.
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License |
This is an open-access article, which permits unrestricted use, distribution, and reproduction in any medium, for non-commercial purposes, provided the original author and source are credited.
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