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. 2023 Jan-Mar;14(1):29-33.
doi: 10.4103/japtr.japtr_520_22. Epub 2023 Jan 20.

Bioactive phytoconstituents of ethanolic extract from Chromolaena odorata leaves interact with vascular endothelial growth factor and cyclooxygenase-2: A molecular docking study

T R Teuku Husni  1 , Darmawi Darmawi  2 , Azwar Azwar  3 , Kurnia Fitri Jamil  4
Affiliations

Bioactive phytoconstituents of ethanolic extract from Chromolaena odorata leaves interact with vascular endothelial growth factor and cyclooxygenase-2: A molecular docking study

T R Teuku Husni et al. J Adv Pharm Technol Res. 2023 Jan-Mar.

Abstract

Chromolaena odorata is an invasive plant with a broad spectrum of medicinal properties, including wound healing. This study aimed to evaluate the interaction of the already identified bioactive phytoconstituents from ethanolic extracts of C. odorata leaves with two angiogenesis-related proteins - vascular endothelial growth factor (VEGF) and cyclooxygenase-2 (COX-2) in silico. A molecular docking protocol was performed on AutoDock Vina employing the molecular structure of VEGF (3HNG) and COX-2 (3LN1) downloaded from the Protein Data Bank. The results reveal that most of the phytoconstituents possess strong binding affinity, where β-tocopherol and squalene have the highest values. In conclusion, it is highly possible that the phytoconstituents of C. odorata from the ethanolic leaf extract perform an interaction with VEGF and COX-2 and affect their activities.

Keywords: In silico; phytocompound; squalene; wound healing; β-tocopherol.

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Conflict of interest statement

There are no conflicts of interest.

Figures

Figure 1
Figure 1
Visualization of molecular interactions of the Chromolaena orodata phytoconstituents with VEGF (a) and COX-2 (b). The phytoconstituents are ledol squalene, β-tocopherol, and octacosanol. VEGF: Vascular endothelial growth factor, COX-2: Cyclooxygenase-2
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References

    1. Olawale F, Olofinsan K, Iwaloye O. Biological activities of chromolaena odorata: A mechanistic review. S Afr J Bot. 2022;144:44–57.
    1. Phan TT, Hughes MA, Cherry GW. Enhanced proliferation of fibroblasts and endothelial cells treated with an extract of the leaves of Chromolaena odorata (Eupolin), an herbal remedy for treating wounds. Plast Reconstr Surg. 1998;101:756–65. - PubMed
    1. Vijayaraghavan K, Rajkumar J, Seyed MA. Phytochemical screening, free radical scavenging and antimicrobial potential of Chromolaena odorata leaf extracts against pathogenic bacterium in wound infections – A multispectrum perspective. Biocatal Agric Biotechnol. 2018;15:103–12.
    1. Thang PT, Patrick S, Teik LS, Yung CS. Anti-oxidant effects of the extracts from the leaves of Chromolaena odorata on human dermal fibroblasts and epidermal keratinocytes against hydrogen peroxide and hypoxanthine-xanthine oxidase induced damage. Burns. 2001;27:319–27. - PubMed
    1. Yudhika I, Jailani M, Dasrul D. Histopathological overview of wound healing process in white rats (Rattus norvegicus) using Chromolaena odorata leaf jelly extract. J Int Surg Clin Med. 2021;1:21–8.