Exploring Oroxylum indicum Phytochemicals as VEGFR-2 Inhibitors: A Molecular Docking Approach for Cancer Management

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Notice

nThis is an unedited manuscript accepted for publication and provided as an Article in Press for early access at the author’s request. The article will undergo copyediting, typesetting, and galley proof review before final publication. Please be aware that errors may be identified during production that could affect the content. All legal disclaimers of the journal apply.n

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Year : 2025 [if 2224 equals=””]13/10/2025 at 3:54 PM[/if 2224] | [if 1553 equals=””] Volume : 03 [else] Volume : 03[/if 1553] | [if 424 equals=”Regular Issue”]Issue : [/if 424][if 424 equals=”Special Issue”]Special Issue[/if 424] [if 424 equals=”Conference”][/if 424] 02 | Page : 48 62

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    By

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    N.G. Prathikshaa,

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  1. Student, Department of Biotechnology, NMAM Institute of Technology, Nitte University, Karkala, Karnataka, India

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Abstract

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Cancer is still a major health problem around the world and is one of the top causes of death. A protein called VEGFR-2 (vascular endothelial growth factor receptor 2) is important because it helps blood vessels grow by supporting the survival, movement, and growth of certain cells. This process is essential for tumors to grow and spread to other parts of the body. This study focused on evaluating the binding energy of phytochemicals from Oroxylum indicum with VEGFR-2 using computational techniques. Molecular docking was conducted via PyRx, a virtual screening tool, to analyze ligand-protein interactions. The data and molecular structures of the plant-based compounds and target proteins were obtained from databases like IMPPAT (Indian Medicinal Plants, Phytochemistry and Therapeutics) and PubChem. Protein structure validation was performed using tools, such as Protein Data Bank (PDB) Sum and BIOVIA Discovery Studio. The pharmacological properties of the ligands were assessed using ADME filters to determine their drug-like characteristics and therapeutic viability. Docking results identified Apigenin 7,4′-dimethyl ether, Biochanin A, Chrysin, Flavone (5,7-dihydroxy-6-methoxy), Hispidulin, Oroxylin A, and Prunetin, as ligands with the lowest binding energies to VEGFR-2. These plant-based compounds show promise as effective blockers of growth factor receptors, which are known to play a key role in the development and spread of cancer. While these findings suggest their suitability as candidates for cancer treatment and suppression, further in vitro investigations are essential to confirm their efficacy.

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Keywords: VEGFR-2 inhibition, Oroxylum indicum, phytochemicals, molecular docking, tumor angiogenesis, cancer therapeutics

n[if 424 equals=”Regular Issue”][This article belongs to International Journal of Cell Biology and Cellular Functions ]

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[/if 424][if 424 equals=”Special Issue”][This article belongs to Special Issue under section in International Journal of Cell Biology and Cellular Functions (ijcbcf)][/if 424][if 424 equals=”Conference”]This article belongs to Conference [/if 424]

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How to cite this article:
nN.G. Prathikshaa. [if 2584 equals=”][226 wpautop=0 striphtml=1][else]Exploring Oroxylum indicum Phytochemicals as VEGFR-2 Inhibitors: A Molecular Docking Approach for Cancer Management[/if 2584]. International Journal of Cell Biology and Cellular Functions. 23/08/2025; 03(02):48-62.

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nN.G. Prathikshaa. [if 2584 equals=”][226 striphtml=1][else]Exploring Oroxylum indicum Phytochemicals as VEGFR-2 Inhibitors: A Molecular Docking Approach for Cancer Management[/if 2584]. International Journal of Cell Biology and Cellular Functions. 23/08/2025; 03(02):48-62. Available from: https://journals.stmjournals.com/ijcbcf/article=23/08/2025/view=0

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[if 424 not_equal=””]Regular Issue[else]Published[/if 424] Subscription Original Research

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Volume 03
[if 424 equals=”Regular Issue”]Issue[/if 424][if 424 equals=”Special Issue”]Special Issue[/if 424] [if 424 equals=”Conference”][/if 424] 02
Received 16/05/2025
Accepted 09/07/2025
Published 23/08/2025
Retracted
Publication Time 99 Days

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