Research Article Open Access
Volume 2 | Issue 4 | DOI: https://doi.org/10.33696/pathology.2.026

Repurposing of an Antifungal Drug against Gastrointestinal Stromal Tumors

  • 1Department of Medicinal and Applied Chemistry, Kaohsiung Medical University, Kaohsiung-80708, Taiwan
  • 2Department of Bioinformatics, Bharathidasan University, Tiruchirapalli-620 024, Tamil Nadu, India
  • 3Division of Biotechnology, School of Agro-Industry, Faculty of Agro-Industry, Chiang Mai University, Chiang Mai50100, Thailand
+ Affiliations - Affiliations

Corresponding Author

Charli Deepak Arulanandam, u105850009@kmu.edu.tw

Received Date: February 20, 2021

Accepted Date: September 28, 2021


Drug discovery is an important research area to improve human health. Currently, treatment of gastrointestinal stromal tumors (GISTs) is unsuccessful due to drug-resistance, hence, there is a demand for alternatives. Often, there is limited time available for toxicological assessments and a lack of safer drugs. But, it is possible to identify new drugs from existing approved drugs possessing another medical application. In this molecular docking study on the selected antifungal and antineoplastic drugs were performed against against GISTs based on docking affinity of human platelet-derived growth factor receptor alpha (PDGFRA) with these drugs to identify a suitable PDGFRA inhibitor for saving the time required for toxicity screening. The protein and ligand-binding affinity were investigated for five FDA approved antineoplastic and thirty-six antifungal drugs against PDGFRA using the AutoDock (AD) and AutoDock Vina (ADV) open-source software. Based on docking score and inhibition constant (Ki), Itraconazole was predicted as a better PDGFRA inhibitor among all the computationally tested drugs.


Molecular Docking, GIST, PDGFRA, Itraconazole, Antifungal, Antineoplastic

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