PHYTOCHEMICAL SCREENING, GC-MS CHARACTERIZATION AND MOLECULAR DOCKING STUDIES OF ROOT EXTRACTS OF Datura metel

Datura metel (Solanaceae) which is commonly known as thorn's apple, Indian apple or devil's trumpet Isan annual herb of temperate zones which is distributed all over the world. D. metel belongs to the family Solanaceae. Different researchers conducted researches and studies on D. metel because of its various traditional and pharmacological uses, including hepatoprotective, antiviral, antibacterial, anti-asthmatic, analgesic, antipyretic, nephroprotective, anticancer, and antifungal effects, Datura metel has been identified as a species of pharmaceutical importance.

The objective of this study is to identify the Bioactive compounds by Phytochemical screening, identification of chemical composition of compounds through GC-MS and Molecular Docking Studies of hexane and ethanol Root Extracts of Datura metel against Inflammation.

In this study the docking results reveals that the ligands are well able to bind with the protein Mitogen Activated Kinase 2 (MK2) complexed with compound. The compounds discovered in the Datura metel root that were discovered using GC-MS data have been described as anti-inflammatory medicines with a range of targets, including Mitogen Activated Kinase 2. With the help of In silico docking studies, it was able to get a molecular understanding of the inhibitory mechanisms of newly identified drugs against an anti-inflammatory therapeutic target.