Page 127 - EJMO-9-2

Eurasian Journal of Medicine
and Oncology

ORIGINAL RESEARCH ARTICLE
In silico assessment of the anticancer effects

of tecomaquinone I, brevilin A, erybraedin A,
evodiamine, and sumadain C in oral squamous

cell carcinoma

Mudiyayirakkani Muthusamy * , Pratibha Ramani 1 , Mukesh Doble 2 , and
1
Ramya Ramadoss 3
1 Department of Oral and Maxillofacial Pathology, Saveetha Dental College and Hospitals, Saveetha
Institute of Medical and Technical Science, Chennai, Tamil Nadu, India
2 Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences,
Chennai, Tamil Nadu, India
3 Department of Oral Biology, Saveetha Dental College and Hospitals, Saveetha Institute of Medical
and Technical Sciences, Chennai, Tamil Nadu, India

Abstract

Oral squamous cell carcinoma (OSCC) is one of the most common malignancies
globally. Current treatment modalities, including chemotherapy and
radiotherapy, often result in adverse effects that compromise the quality of
*Corresponding author:
Mudiyayirakkani Muthusamy life for patients. An alternate approach involves using phytocomposites as
(152032001.sdc@saveetha.com) substitutes for commercial chemotherapeutic agents, potentially offering
Citation: Muthusamy M, Ramani P, improved therapeutic outcomes with minimal adverse effects. The study aims
Doble M, Ramadoss R. In silico to investigate the anticancer effects of phytocomposites in OSCC. A literature
assessment of the anticancer search was performed to select relevant phytocomposites for the analysis.
effects of tecomaquinone I,
brevilin A, erybraedin A, The chosen compounds included tecomaquinone I, brevilin A, erybraedin A,
evodiamine, and sumadain C in oral evodiamine, and sumadain C. Bioactive compound information was extracted
squamous cell carcinoma. Eurasian using online software tools, such as ZINC15, SwissADME, PharmaGist, and
J Med Oncol. 2025;9(2):119-130.
doi: 10.36922/ejmo.7073 ZINCPharmer. The target protein for this study was Harvey rat sarcoma virus
oncogene and its structure was obtained from the Protein Data Bank. On
Received: December 5, 2024
evaluating the binding affinities of these phytocomposites to the target protein,
Revised: January 9, 2025 it was found that ZINC94088045 and ZINC94241870 exhibited the highest
Accepted: January 11, 2025 binding affinities, with values of -18.71 and -15.75 kcal/mol, respectively. These
compounds also demonstrated favorable pharmacokinetic properties, with
Published online: March 25, 2025
total polar surface area values of 85.11 Ų and 122.39 Ų, log P values of 2.59
Copyright: © 2025 Author(s). and 1.77, and bioavailability scores of 0.55 and 0.56, respectively. Notably, these
This is an Open Access article compounds also showed high gastrointestinal absorption and low cytotoxicity.
distributed under the terms of the
Creative Commons Attribution The final phytocomposite combination displayed a strong binding affinity to
License, permitting distribution, the target protein while maintaining low cytotoxicity. This study highlights
and reproduction in any medium, the potential anticancer effect of phytocomposites on OSCC with negligible
provided the original work is
properly cited. cytotoxicity, offering a promising alternative to conventional treatments.
Publisher’s Note: AccScience
Publishing remains neutral with Keywords: Binding affinity; Oral squamous cell carcinoma; Phytocomposites; Harvey rat
regard to jurisdictional claims in
published maps and institutional sarcoma virus oncogene
affiliations.

Volume 9 Issue 2 (2025) 119 doi: 10.36922/ejmo.7073