Prediction Activity Pharmacology and Molecular Docking of Secondary Metabolite Compounds of Tamarind Leaves (Tamarindus indica) as Anticancer

Authors

  • Faisal Akhmal Muslikh Department of Pharmacy, Faculty of Pharmacy, Hang Tuah University, Surabaya, East Java, Indonesia
  • Pramudita Riwanti Universitas Hang Tuah
  • Reza Alrayan2 Institut Ilmu Kesehatan Bhakti Wiyata Kediri

Keywords:

Tamarindus indica, EGFR, isovitexin, PASS prediction, molecular docking, anticancer

Abstract

Introdiction: Cancer remains one of the leading causes of morbidity and mortality worldwide, with incidence and death rates increasing annually. One of the most effective therapeutic targets for cancer is the Epidermal Growth Factor Receptor (EGFR). However, the use of synthetic EGFR inhibitors is often associated with significant side effects. Aims: This study aims to evaluate the potential of compounds derived from Tamarindus indica (tamarind) leaves as anticancer agents through an in silico approach, including pharmacological activity prediction (PASS) and molecular docking against the EGFR receptor. Methods: Pharmacological activities were predicted using the Way2Drug webtool, while molecular docking analysis was performed using Molegro Virtual Docker (MVD). Result: The PASS prediction results indicated that the compounds in Tamarindus indica leaves possess a broad spectrum of anticancer activities. Docking analysis revealed that isovitexin exhibited the lowest rerank score among the test compounds and controls (erlotinib and the native ligand), indicating stronger binding affinity to EGFR. Conclusion: These findings support the potential of tamarind leaves, particularly isovitexin, as a promising computationally-predicted anticancer therapeutic candidate

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Published

2025-06-07

How to Cite

Muslikh, F. A., Riwanti, P., & Alrayan, R. (2025). Prediction Activity Pharmacology and Molecular Docking of Secondary Metabolite Compounds of Tamarind Leaves (Tamarindus indica) as Anticancer. Ad-Dawaa’ Journal of Pharmaceutical Sciences, 8(1). Retrieved from https://journal.uin-alauddin.ac.id/index.php/addawaa/article/view/57090

Issue

Vol. 8 No. 1 (2025): on progress

Section

Artikel

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Copyright (c) 2025 Faisal Akhmal Muslikh, Pramudita Riwanti, Reza Alrayan2

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