IDENTIFICATION OF POTENTIAL THERAPEUTIC AGENTS FROM ARTEMISIA ANNUA FOR SYSTEMIC LUPUS ERYTHEMATOSUS

Authors

  • SAMEER SHARMA Indian Academy Degree College - Autonomous

Keywords:

Systemic lupus erythematosus, Phytocompounds, Artemisia annua, Himachalol, Scopolin, Molecular docking, RELA, PTGS2, Hydralazine, Procainamide, ADMET

Abstract

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.

References

Kamen, D. L. Environmental influences on Systemic lupus erythematosus expression. Rheumatic Diseases Clinics of North America, 2014; 40(3): 401–412. https://doi.org/10.1016/j.rdc.2014.05.003

Song, Z., Ji, L., Wu, S., Fan, Y., Zhang, Q., Yang, K., & Fang, S. Molecular mechanism of QH-BJ drug pair in the treatment of systemic lupus erythematosus based on network pharmacology and molecular docking. Medicine, 2022; 101(48): e32062. https://doi.org/10.1097/md.0000000000032062

Czechowski, T., Weathers, P. J., Brodelius, P. E., Brown, G. D., & Graham, I. A Editorial: Artemisinin—From Traditional Chinese Medicine to Artemisinin Combination Therapies; Four Decades of Research on the Biochemistry, Physiology, and Breeding of Artemisia annua. Frontiers in Plant Science, 2020; 11. https://doi.org/10.3389/fpls.2020.594565

Septembre-Malaterre, A., Rakoto, M. L., Marodon, C., Bedoui, Y., Nakab, J., Simon, E., Hoarau, L., Savriama, S., Strasberg, D., Guiraud, P., Sélambarom, J., & Gasque, P. Artemisia annua, a Traditional Plant Brought to Light. International Journal of Molecular Sciences,2020; 21(14): 4986. https://doi.org/10.3390/ijms21144986

Gottschalk, T. A., Tsantikos, E., & Hibbs, M. L. Pathogenic inflammation and its therapeutic targeting in systemic lupus erythematosus. Frontiers in Immunology, 2015; 6. https://doi.org/10.3389/fimmu.2015.00550

Song, Z., Ji, L., Wu, S., Fan, Y., Zhang, Q., Yang, K., & Fang, S. Molecular mechanism of QH-BJ drug pair in the treatment of systemic lupus erythematosus based on network pharmacology and molecular docking. Medicine, 2022; 101(48): e32062. https://doi.org/10.1097/md.0000000000032062

Rees F, Doherty M, Grainge MJ, Lanyon P, Zhang W. The worldwide incidence and prevalence of systemic lupus erythematosus: a systematic review of epidemiological studies. https://pubmed.ncbi.nlm.nih.gov/28968809/ Rheumatology (Oxford) 2017;56:1945–1961. [PubMed] [Google Scholar]

Weckerle CE, Niewold TB. The unexplained female predominance of systemic lupus erythematosus: clues from genetic and cytokine studies. https://pubmed.ncbi.nlm.nih.gov/20063186/ Clin Rev Allergy Immunol. 2011;40:42–49. [PMC free article] [PubMed] [Google Scholar]

Karrar S, Cunninghame Graham DS. Abnormal B cell development in systemic lupus erythematosus: what the genetics tell us.. https://pubmed.ncbi.nlm.nih.gov/29207444/ Arthritis Rheumatol. 2018;70:496–507. [PMC free article] [PubMed] [Google Scholar]

Ameer, M. A., Chaudhry, H. R., Mushtaq, J., Khan, O. S., Babar, M., Hashim, T., Zeb, S., Tariq, M., Patlolla, S. R., Ali, J., Hashim, S. N., & Hashim, S. An overview of Systemic Lupus erythematosus (SLE) pathogenesis, classification, and management. Cureus. 2022; https://doi.org/10.7759/cureus.30330

Mustafa, G., Mahrosh, H. S., Salman, M., Sharif, S., Jabeen, R., Majeed, T., & Tahir, H. Identification of peptides as novel inhibitors to target IFN-Γ, IL-3, and TNF-Α in systemic lupus erythematosus. BioMed Research International, 2021; 1–11. https://doi.org/10.1155/2021/1124055

Ameer, M. A., Chaudhry, H. R., Mushtaq, J., Khan, O. S., Babar, M., Hashim, T., Zeb, S., Tariq, M., Patlolla, S. R., Ali, J., Hashim, S. N., & Hashim, S. An overview of Systemic Lupus erythematosus (SLE) pathogenesis, classification, and management. Cureus. 2022; https://doi.org/10.7759/cureus.30330

Mirbehbahani, F. S., Hejazi, F., Najmoddin, N., & Asefnejad, A. Artemisia annua L. as a promising medicinal plant for powerful wound healing applications. Progress in Biomaterials, 2020; 9(3): 139–151. https://doi.org/10.1007/s40204-020-00138-z

Vidic, D., Zeljković, S. Ć., Dizdar, M., & Maksimović, M. Essential oil composition and antioxidant activity of four Asteraceae species from Bosnia. Journal of Essential Oil Research, 2016; 28(5), 445–457. https://doi.org/10.1080/10412905.2016.1150216

Nekoei, M., Mohammadhosseini, M., & Akhlaghi, H. Chemical Composition of the Volatile Oils from the Aerial Parts of Artemisia annua. (Asteraceae) by Using HeadSpace Solid Phase Microextraction and Hydrodistillation Methods Prior to Gas Chromatographic-Mass Spectrometric Determination: A Comparative Investigation. Journal of Essential Oil Bearing Plants. 2012; https://doi.org/10.1080/0972060x.2012.10662595

Vidic, D., Zeljković, S. Ć., Dizdar, M., & Maksimović, M. Essential oil composition and antioxidant activity of four Asteraceae species from Bosnia. Journal of Essential Oil Research, 2016b; 28(5), 445–457. https://doi.org/10.1080/10412905.2016.1150216

Mucciarelli, M., Caramiello, R., Maffei, M. E., & Chialva, F. Essential oils from someArtemisia species growing spontaneously in North-West Italy. Flavour and Fragrance Journal, 1995; 10(1): 25–32. https://doi.org/10.1002/ffj.2730100105

Xiao, L., Xiao, W., & Zhan, F. Targets of Tripterygium glycosides in systemic lupus erythematosus treatment: A network-pharmacology study. Lupus, 2022; 31(3): 319–329. https://doi.org/10.1177/09612033221076725

Xie, B., Geng, Q., Xu, J., Lu, H., Luo, H., Hu, Y., & Song, X. The multi-targets mechanism of hydroxychloroquine in the treatment of systemic lupus erythematosus based on network pharmacology. Lupus, 2020; 29(13): 1704–1711. https://doi.org/10.1177/0961203320952541

Vane, J. R., & Botting, R. M. Anti-inflammatory drugs and their mechanism of action. Inflammation Research, 1998; 47(0): 78–87. https://doi.org/10.1007/s000110050284

Merrill, J. T., Erkan, D., & Buyon, J. P. Challenges in bringing the bench to bedside in drug development for sle. Nature Reviews Drug Discovery, 2004; 3(12): 1036–1046. https://doi.org/10.1038/nrd1577

Ramalingam, A., Mustafa, N., Chng, W. J., Medimagh, M., Sambandam, S., & Issaoui, N. 3-Chloro-3-methyl-2,6-diarylpiperidin-4-ones as Anti-Cancer Agents: Synthesis, Biological Evaluation, Molecular Docking, and In Silico ADMET Prediction. Biomolecules, 2022; 12(8): 1093. https://doi.org/10.3390/biom12081093

Li, Y., & Wu, T. Proteomic approaches for novel systemic lupus erythematosus (SLE) drug discovery. Expert Opinion on Drug Discovery, 2018; 13(8): 765–777. https://doi.org/10.1080/17460441.2018.1480718

Mahrosh H. S., Tanveer M., Arif R., Mustafa G. Computer-aided prediction and identification of phytochemicals as potential drug candidates against MERS-CoV. BioMed Research International .2021;2021:7. doi: 10.1155/2021/5578689.5578689

Mahrosh H. S., Mustafa G. An in silico approach to target RNA-dependent RNA polymerase of COVID-19 with naturally occurring phytochemicals. Environment, Development, and Sustainability .2021;23:16674–16687

Juarranz Y. Molecular and cellular basis of autoimmune diseases. Cells. 2021;10:p. 474.doi: 10.3390/cells10020474.

Ferreira L. G., dos Santos R., Oliva G., Andricopulo A. D. Molecular docking and structure-based drug design strategies. Molecules. 2015;20(7):13384–13421. doi: 10.3390/molecules200713384

Published

04-01-2024

How to Cite

SHARMA, S. (2024). IDENTIFICATION OF POTENTIAL THERAPEUTIC AGENTS FROM ARTEMISIA ANNUA FOR SYSTEMIC LUPUS ERYTHEMATOSUS. Innovare Journal of Medical Sciences, 12(1). Retrieved from https://innovareacademics.in/journals/index.php/ijms/article/view/49628

Issue

Section

Original Article(s)