In-Silico Prediction of Phytoconstituents from Phyllanthus niruri for Anticancer Activity against Prostate Cancer Targeting PIM-1 Kinase

Authors

DOI:

https://doi.org/10.47552/ijam.v14i1.3407

Keywords:

In-silico, Phyllanthus niruri, Anticancer Activity, 3A99, Discovery studio

Abstract

Objective: Lung cancer, commonly referred to as lung carcinoma, is a malignant tumour of the lung that is characterised by unchecked cell proliferation in lung tissues.Oncemore, medicinal plants are being researched for the treatment of lung cancer. Prototypical compounds found in medicinal plants have been the source of many conventional medications. In-silico testing of Phyllanthus niruri (L.) Lour. phytoconstituents for anticancer efficacy was a part of our investigation. Design: Utilizing Discovery studio, molecular docking is done to assess the pattern of interaction between the phytoconstituents from the Phyllanthus niruri plant and the crystal structure of the anticancer proteins (PDB ID: 3A99). Later, SwissADME and pkCSM were used to screen for toxicity as well as the pharmacokinetic profile. Results: The docked results suggest that luteolin (-8.3 kcal/mol), and caffeic acid (-6.6 kcal/mol), for 3A99 macromolecule has best binding affinity towards PIM-1 kinase for anticancer activity on lungs as compared to the standard drug lenvatinib mesylate (-3.5 kcal/mol). Furthermore, pharmacokinetics and toxicity parameters were within acceptable limits according to ADMET studies. Conclusion: Results from the binding potential of phytoconstituents aimed at anticancer activity were encouraging. It promotes the usage of Phyllanthus niruri and offers crucial details on pharmaceutical research and clinical care.

Author Biographies

Apeksha Motghare

Research Student, Kamla Nehru College of Pharmacy, Butibori, Nagpur, Maharashtra. India.

Parimal P Katolkar

Associate Professor, Kamla Nehru College of Pharmacy, Butibori, Nagpur, Maharashtra. India.

Tina S Lichade

Research Student, Kamla Nehru College of Pharmacy, Butibori, Nagpur, Maharashtra. India.

Jagdish Baheti

Principal, Kamla Nehru College of Pharmacy, Butibori, Nagpur, Maharashtra. India.

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Published

04-04-2023

How to Cite

Motghare, A. P., Katolkar, P. P., Lichade, T. S., & Baheti, J. (2023). In-Silico Prediction of Phytoconstituents from Phyllanthus niruri for Anticancer Activity against Prostate Cancer Targeting PIM-1 Kinase. International Journal of Ayurvedic Medicine, 14(1), 114–120. https://doi.org/10.47552/ijam.v14i1.3407

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Section

Research Articles