Molecular docking analysis of stachydrine and sakuranetin with IL-6 and TNF-α in the context of inflammation

Lavanya Prathap; Selvaraj Jayaraman; Anitha Roy; Preetha Santhakumar; M Jeevitha

doi:10.6026/97320630017363

Molecular docking analysis of stachydrine and sakuranetin with IL-6 and TNF-α in the context of inflammation

Bioinformation. 2021 Feb 28;17(2):363-368. doi: 10.6026/97320630017363. eCollection 2021.

Authors

Lavanya Prathap¹, Selvaraj Jayaraman², Anitha Roy³, Preetha Santhakumar⁴, M Jeevitha⁵

Affiliations

¹ Department of Anatomy, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences, Chennai - 600 077, Tamil Nadu, India.
² Department of Biochemistry, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences, Chennai - 600 077, Tamil Nadu, India.
³ Department of Pharmacology, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences, Chennai - 600 077, Tamil Nadu, India.
⁴ Department of Physiology, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences, Chennai - 600 077, Tamil Nadu, India.
⁵ Department of Periodontics, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences, Chennai - 600 077, Tamil Nadu, India.

Abstract

Inflammation is a process triggered by pro-inflammatory cytokines and anti-inflammatory molecules. Therefore, it is of interest to document the anti-inflammatory activity of Stachydrine and Sakuranetin against the inflammatory target proteins IL-6 and TNF-α by using molecular docking analysis. Both compounds showed good binding features with the selected target proteins. Compared to Sakuranetin, the Stachydrine have low binding energy and good hydrogen bond interactions. Hence, data show that Stachydrine possessed high and specific inhibitory activity on tumor necrosis factor-α and interleukin-6.

Keywords: IL-6; TNF-α; inflammation; molecular docking.