ADME ANALYSIS AND MOLECULAR DOCKING OF PHYTOCOMPOUNDS OF SALVIA PLEBEIA AGAINST SIRT1 TARGETS IN LUNG CANCER

Authors

  • CHINMAYI KRISHNA MOORTHY Department of Biotechnology, NMAM Institute of Technology, Nitte, Karkala, Karnataka, India.

DOI:

https://doi.org/10.22159/ijms.2022.v10i6.46622

Keywords:

Salvia plebeia, Sirtuin, Phytochemical, Drug, Pharmacological studies

Abstract

Objective: The sirtuin family is known to have a significant role in the regulation of a wide range of physiological and pathological processes, including in neurodegeneration, age-related diseases, obesity, heart disease, and cancer, according to its targets in certain signaling pathways or in particular tumors. In the present study, the counteractive activity of 10 phytocompounds of the plant Salvia plebeia against lung cancer’s disease-causing protein SIRT1 was observed.

Methods: The molecules’ structural information was obtained using PubChem and IMPPAT websites, pharmacological assessment was done using SwissADME and toxicity was predicted using ProTox-II. A computational approach was used to study the phytochemical properties of the compounds of Salvia plebeia. Molecular docking was done using PyRx and BIOVIA helped in the visualization process.

Results: The results from the molecular docking showed that nepetin, hispidulin, and eupatorin were the most effective against SIRT1 promoting lung cancer.

Conclusion: The compounds’ ADME/T characteristics were examined to forecast their likelihood of becoming drugs. This docking study can be exploited to create powerful SIRT1 lung cancer inhibitors.

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Published

16-11-2022

How to Cite

MOORTHY, C. K. (2022). ADME ANALYSIS AND MOLECULAR DOCKING OF PHYTOCOMPOUNDS OF SALVIA PLEBEIA AGAINST SIRT1 TARGETS IN LUNG CANCER. Innovare Journal of Medical Sciences, 10(6), 42–48. https://doi.org/10.22159/ijms.2022.v10i6.46622

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Section

Original Article(s)