Withania somnifera: The Wonder Plant with Withanolide E and J Inhibit Inflammatory Mediator AP-1 Factor

Abstract

Background: Inflammation is a natural biological response of the body tissues to harmful stimuli, such as damaged cells, irritants or pathogens and it is a protective response involving blood vessels, immune cells and molecular mediators. Activator Protein-1 (AP-1) is a dimer composed of both homo and hetero dimers with jun and fos sub families. The heterodimer cfos-cjun complex is up regulated in several inflammatory diseases such as asthma, rheumatoid arthritis, psoriasis etc. Since ancient time, several plants were used as anti-inflammatory sources. Withania somnifera is a vital plant having well documented anti-inflammatory properties. In this study, the phytochemicals of Withania somnifera are used to study the inhibitory effect on inflammatory mediator AP-1 factor. Objective: Determination of inhibitory effect of Withania somnifera phytochemicals against AP-1 factor (cfos-cjun complex). Method: In the present study, phytochemicals of Withania somnifera were retrieved from IMPPAT database and all the retrieved molecules were employed for screening of in-silico pharmacological properties using in-silico tools such as SwissADME and ProTox II. Further, Molecular interactions of receptor and the ligands were carried out by Autodock 4.1 tool. Results: Total 90 phytochemicals of Withania somnifera were subjected for IMPPAT database. Among those 21 Phytochemicals shown the appropriate drug similarity characteristics. Autodock 4.1 tool used to analyse the binding effectiveness of these 21 phytochemicals. The excellent inhibitory action in comparison to others was shown by Withanolide E and Withanolide J molecules. Interactions pattern showed that SER and ARG amino acids participate in the formation of drug hydrogen bonds. Conclusion: Among the 90 phytochemicals of Withania somnifera, only two molecules showed potential ligand binding ability. Further, in-vitro studies may validate the findings.