Therapeutic assessment, chemical characterization and in-silico docking of an ethnomedicinal species, Clerodendrum serratum (Linn.) Moon

Clerodendrum serratum (Linn.) Moon (CS) is a traditionally well-accepted plant used vigorously in Indian ayurvedic therapeutic purposes. However, not much work has been carried out to prepare its medicinal profile. Moreover, chemical characterization of this plant is still largely unexplored. In the present study, we explored several in-vitro antioxidant methods including hydroxyl radical, nitric oxide, erythrocyte membrane stabilizing activity etc. to evaluate the free radical scavenging potentiality of CS. In addition, GC-MS analysis was performed to identify the active phytocompounds. In-silico docking technique was further employed to examine the binding pattern among selected cancerous proteins (breast cancer, ovarian cancer and lung cancer) and identified active compounds. Result exhibited decent antioxidant activity of CS when compared with respective standards. Furthermore, any drastic metabolic changes were not observed through hemolytic assay confirming CS as a non-toxic stuff and safer to consume. A total number of 6 phytocompounds have been identified via GC-MS analysis in which linoleic acid, oleic acid, squalene and stigmasterol are the main bioactive compounds observed. The in-silico studies disclosed the probable function of selected phytocompounds in neutralizing various types of cancer leading towards new drug discovery.