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Dehydrocostus lactone from the root of Ajuga integrifolia (Buch.-Ham. Ex D. Don): Quantitative determination and in- silico study for anti-breast cancer activity

Authors

Fekade Beshah Tessema Industrial Chemistry, Addis Ababa Science and Technology University, Addis Ababa P.O. Box: 16417, Ethiopia https://orcid.org/0000-0002-0757-4651
Yilma Hunde Gonfa Industrial Chemistry, Addis Ababa Science and Technology University, Addis Ababa P.O. Box: 16417, Ethiopia https://orcid.org/0000-0002-0639-320X
Tilahun Belayneh Asfaw Industrial Chemistry, Addis Ababa Science and Technology University, Addis Ababa P.O. Box: 16417, Ethiopia https://orcid.org/0000-0002-2231-6319
Mesfin Getachew Tadesse Industrial Chemistry, Addis Ababa Science and Technology University, Addis Ababa P.O. Box: 16417, Ethiopia https://orcid.org/0000-0001-7623-8443
Archana Joshi Bachheti Department of Environmental Science, Graphic Era (Deemed to be University), Dehradun 248002, Uttarakhand, India https://orcid.org/0000-0002-7728-6479
Abdel Nasser Singab Pharmacognosy Department, Faculty of Pharmacy, Ain‐shams University, Cairo, Egypt https://orcid.org/0000-0001-7445-963X
Rakesh Kumar Bachheti Industrial Chemistry, Addis Ababa Science and Technology University, Addis Ababa P.O. Box: 16417, Ethiopia https://orcid.org/0000-0002-8053-9027

DOI:

https://doi.org/10.14719/pst.2344

Keywords:

Ajuga integrifolia, breast cancer, dehydrocostus lactone, molecular docking, thin layer chromatography

Abstract

Many biological activities were reported for the Ajuga species, specifically for Ajuga integrifolia and its synonyms. These include antioxidant, anti-inflammatory, antidiabetic, antibacterial, blood purifier effects, and anticancer activity. This study quantitatively determines dehydrocostus lactone (DHCL) from the root of Ajuga integrifolia and its in silico study for anti-breast cancer activity. Camag HPTLC was used for TLC – densitometric estimation of dehydrocostus lactone. Estrogen receptor alpha (ER?) protein (PDB ID: 3ERT) was selected for its involvement in cell proliferation within the breast cancer cell. Tamoxifen is a reference drug commonly used in hormonal therapy, and DHCL was used as a ligand. Molecular docking was performed using AutoDock Vina in PyRx v.0.8 to get the best
conformational pose for forming the expected receptor-ligand complex. The docking result visualization was performed using LigPlot v.1.4.5 software for 2D, and the interactive visualization in 3D was done using Biovia Discovery Studio software. The presence of DHCL in the root of A. integrifolia was not reported so far. DHCL content in the root of A. integrifolia was estimated to be 16.5 ± 0.25 mg/g of crude extract using the TLC- densitometric method. From the molecular docking study, DHCL was found to be a promising inhibitor for estrogen receptor interaction in the breast cell and can be selected for further in vivo research to develop an anti-breast cancer drug.

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01-10-2023

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01-01-2024 (2)
01-10-2023 (1)

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Tessema FB, Gonfa YH, Asfaw TB, Tadesse MG, Bachheti AJ, Singab AN, Bachheti RK. Dehydrocostus lactone from the root of Ajuga integrifolia (Buch.-Ham. Ex D. Don): Quantitative determination and in- silico study for anti-breast cancer activity. Plant Sci. Today [Internet]. 2023 Oct. 1 [cited 2024 Nov. 24];. Available from: https://horizonepublishing.com/journals/index.php/PST/article/view/2344

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