Abstract
The aim of the present study is to reveal the possible mechanism of anti-inflammatory activity ofCrateva adansoniileaf extract to claim folkoric use of the plant in inflammation disease conditions. Isolation of chloroform leaf extract fraction (CEF) containing anti-inflammatory marker compound of the plant lupeol is done through column chromatography procedure, which is further confirmed by HPLC analysis with standard lupeol compound. The isolated marker compound lupeol from CEF shows significant in vitro anti-inflammatory effect compared to methanolic and chloroform leaf extracts (ME & CE) of the plantCrateva adansoniiand reference standard indomethacin. Further in silico screening of lupeol and indomethacin against five crucial inflammatory molecular targets such as COX-2 (PDB ID: 4COX), MPO (PDB ID: 3ZS0), IL1 beta (PDBID: 1T4Q), IL6 (PDBID: 19PM) and TNF alpha (PDBID: 2AZ5) was done using autodock tool. Maximal binding affinity (- 11.6, - 9.0, - 9.9, - 7.5, - 9.0 kcal/mol) was exhibited by lupeol against all five targets of inflammation COX-2, MPO, TNF alpha, IL1 beta & IL6 respectively. In vitro and in silico modeling confirms the anti-inflammatory efficiency of lupeol and also unveils the hidden molecular mechanisms of folkoric use ofCrateva adansoniiplant in inflammatory disease conditions.