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VOL. 3, ISSUE 1 (2018)
Molecular docking and ADME/T analysis for identification of novel potential COX inhibitors of some isolated compounds from Azadirachta indica for Thrombolytic treatment
Authors
Md. Arif Hossain, Niloy Kar, Bhaskar Dey, Sadia Binte Kashem, Tahnia Basher, Md. Mizanur Rahman, Ragibul Hasan, Mohuya Majumder, Nishan Chakrabarty
Abstract
Developing a new agent in the thrombolytic field, plants are widely used for the management of myocardial infarction, thromboembolic strokes, deep vein thrombosis and pulmonary embolism. For this purpose we subjected the active compounds of to reveal its potentiality by molecular docking analysis to find out its potent compound against 1A5H which was done by Maestro v 10.1 (Schrodinger) docking analysis. Docking studies by Maestro v 10.1 (Schrodinger) showed that Gamma-Elemene of Azadirachta indica had the lowest docking score respectively against the 1A5H which are -3.001. Gamma-Elemene from Azadirachta indica detected with significant docking score which may be a potent thrombolytic compound because the less docking score, the compound will be more potent.
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Pages:29-31
How to cite this article:
Md. Arif Hossain, Niloy Kar, Bhaskar Dey, Sadia Binte Kashem, Tahnia Basher, Md. Mizanur Rahman, Ragibul Hasan, Mohuya Majumder, Nishan Chakrabarty "Molecular docking and ADME/T analysis for identification of novel potential COX inhibitors of some isolated compounds from <em>Azadirachta indica</em> for Thrombolytic treatment". International Journal of Advanced Scientific Research, Vol 3, Issue 1, 2018, Pages 29-31
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