A STUDY ON THE PHARMACOLOGICAL ACTIVITY OF THE SEEDS OF ALOE VERA: IN-SILICO AND GC-MS APPROACH

Abstract

Aloe vera is a succulent plant that is widely known for its medicinal properties. Though there are numerous suggestions for its utility, controlled trials are mandatory to govern its actual effectiveness. The aim of our study is to find the beneficial effects of Aloe vera seeds through in-silico studies with the help of GC-MS analysis. The freshly collected Aloe vera seeds were dried for two weeks in the absence of sunlight. Later the seeds powder is used for GC-MS. The active compounds obtained from GC-MS analysis were used for in-silico computational studies. The receptors were obtained from RCSB Protein Data Bank, the ligands were obtained from CORINA Molecular Network and docking was carried out through Patch Dock online server. On the analysis of the docked complex we were able to find potential binding affinity between the ligands of Aloe vera seed and the chosen receptor. Our study has demonstrated the potential binding affinity against hepatotoxicity and arthritis receptors. Among the docked complex the ligands like Heptacosane, Hexatriacontane, Tritetracontane, Tetratetracontane, Hentriacontane, Tetracosane, 11-decyl, Tetratetracontane and Tetracontane has demonstrated potential interaction. The ligands like Tritetracontane and Tetracontane has shown much hydrogen bonding. The seeds of Aloe vera and its potential binding active compounds can be further studied through in-vivo animal work to know its beneficial effect against inflammation.