IDENTIFICATION OF POTENTIAL THERAPEUTIC AGENTS FROM ARTEMISIA ANNUA FOR SYSTEMIC LUPUS ERYTHEMATOSUS
Keywords:
Systemic lupus erythematosus, Phytocompounds, Artemisia annua, Himachalol, Scopolin, Molecular docking, RELA, PTGS2, Hydralazine, Procainamide, ADMETAbstract
Objective: Systemic lupus erythematosus is an autoimmune disease described by Hargraves in 1948. Since then a number of autoantibodies have been recognized but the exact cause and the risk factors are not well known. In this investigation, their pharmacological properties and therapeutic activities against the target proteins and phytocompounds of Artemisia annua were chosen. Moreover, the comparison study of phytocompounds utilized the two bio-medications Hydralazine and Procainamide.
Methods: In this investigation, the target proteins were downloaded from the PDB and docked in PyRx with 23 phytocompounds of Artemisia annua and 2 biomedicines. The binding affinity of the ligands and the standard drug with each target protein were analyzed. Besides the top 5 phytocompounds with the lowest binding affinities were furthermore analysed by ADMET study and visualized in BIOVIA Discovery Studio Visualizer
Results: The study revealed that Scopolin and Himachalol were the ligands with the lowest binding affinities and were present in both target proteins.
Conclusion: The findings indicate that Scopolin and Himachalol have lower binding affinities. The information provided here gives novel strategies that the ligands could likely be used to treat Systemic lupus erythematosus in the succeeding approaches in vitro and in vivo analysis which is beneficial to generate novel Systemic lupus erythematosus inhibitors.
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