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J Herbmed Pharmacol. 2024;13(2): 226-239.
doi: 10.34172/jhp.2024.48154

Scopus ID: 85192246173
  Abstract View: 324
  PDF Download: 218

Original Article

In-silico and biochemical analysis of ethyl acetate fraction of Olax subscorpioidea leaf on DMBA-induced cell proliferation in female rats

Ayodeji Adebayo Adelegan 1* ORCID logo, Titilayo Omolara Johnson 2,3 ORCID logo, Titilope Modupe Dokunmu 1,4 ORCID logo, Emeka Eze Joshua Iweala 1,4 ORCID logo

1 Department of Biochemistry, College of Science and Technology, Covenant University, Ota, Ogun State, Nigeria
2 Department of Biochemistry, Faculty of Basic Medical Science, College of Health Sciences, University of Jos, Jos, Nigeria
3 Bioinformatics Unit, Jaris Computational Biology Centre, Jos, Nigeria
4 Covenant Applied Informatics and Communication Africa Centre of Excellence, Covenant University, Ota, Ogun State, Nigeria
*Corresponding Author: Ayodeji Adebayo Adelegan,, Email: ayodejiadelegan@gmail.com

Abstract

Introduction: Olax subscorpioidea is a medicinal plant that Africans use to treat numerous ailments, including cancer. This research examines the antioxidant, anticancer, and in-silico properties of ethyl acetate fraction of Olax subscorpioidea’s (OSEA) on 7,12-Dimethylbenz(α) anthracene (DMBA)-induced cell proliferation in female rats.

Methods: Forty female Sprague Dawley rats averaging 110 ± 20 g were induced proliferation with DMBA (80 mg/kg) and treated with ethyl acetate fraction (250 mg/kg BW) of O. subscorpioidea or tamoxifen (6.6 mg/kg BW) before and after induction. The trial lasted 22 weeks. In-vivo antioxidant parameters such as superoxide dismutase (SOD), malondialdehyde (MDA), and reduced glutathione (GSH) were examined. Likewise, carcinoma antigen marker (CA153), and DNA methyltransferase 3-like (DNMT3L) activity were measured. Gas chromatography-mass spectrometry (GC-MS) detected the bioactive compounds, and molecular docking studies predicted the mechanism of action of OSEA against DNA methyltransferase.

Results: Treatment with OSEA significantly increased the SOD activity, enhanced GSH levels, and lowered the levels of MDA, CA-153, and DNMT3L in DMBA-exposed rats. The GC-MS analysis of OSEA revealed the presence of 40 bioactive compounds. The molecular docking revealed that 4-cyclopentene-1,3-dione (-6.407 kcal/mol), 2-(2-hydroxyethylthio) (-4.926 kcal/mol) and 3,4,5,6-tetrahydrophthalic anhydride (-6.16 kcal/mol) had the lowest binding energies against DNMT1, DNMT3A, and DNMT3B, respectively. 2-(2-hydroxyethylthio) was the least toxic. The molecular dynamic simulation revealed that the interaction between DNMT3A and 2-(2-hydroxyethylthio) propionic was stable to an extent.

: The in-silico and biochemical analysis of the ethyl acetate fraction of O. subscorpioidea showed that it can protect against lipid peroxidation and oxidative stress and may be a potent source of drug that serves as an effective therapeutic in the future.


Implication for health policy/practice/research/medical education:

Implications for Health Policy, Practice, Research, and Medical Education: This study demonstrates that the ethyl acetate fraction of Olax subscorpioidea’s (OSEA) possesses anticancer properties and might aid in developing natural-resource-based cancer treatments.

Please cite this paper as: Adelegan AA, Johnson TO, Dokunmu TM, Iweala EEJ. In-silico and biochemical analysis of ethyl acetate fraction of Olax subscorpioidea leaf on DMBA-induced cell proliferation in female rats. J Herbmed Pharmacol. 2024;13(2):226- 239. doi: 10.34172/jhp.2024.48154.

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Submitted: 03 Oct 2023
Accepted: 18 Dec 2023
ePublished: 01 Apr 2024
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