Molecular docking and ADME/T analysis for identification of novel potential COX inhibitors of some isolated compounds from Clausena lansium for analgesic treatment
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Developing a new agent in the analgesic field, plants secondary metabolites can be a good source for the Non-Steroidal Anti-inflammatory Drugs (NSAID) drug development. For this purpose we subjected the active compounds Clausena lansium of to reveal its potentiality by molecular docking analysis to find out its potent compound against COX-1 and COX-2 which was done by Maestro v 10.1 (Schrodinger) docking analysis. Docking studies by Maestro v 10.1 (Schrodinger) showed that Murrayanine and Clausenaline E of Clausena lansium had the lowest docking score respectively against the COX-1 and COX2 which are-6.471 and-8.325. Murrayanine and Clausenaline E from Clausena lansium detected with significant docking score which may be a potent analgesic compound because the less docking score, the compound will be more potent.
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