Integrative Network Pharmacology and  In Silico  Analysis of  Sauropus androgynus  Active Compounds as Potential Supplements Against Childhood Stunting

Arwansyah Arwansyah; Sri Mulyani Sabang; Tahril Tahril; Abdur Rahman Arif; Jamaludin Musa Sakung; Muhammad Sulaiman Zubair; Setyanto Tri Wahyudi

doi:10.22146/ijc.106207

Integrative Network Pharmacology and In Silico Analysis of Sauropus androgynus Active Compounds as Potential Supplements Against Childhood Stunting

https://doi.org/10.22146/ijc.106207

Arwansyah Arwansyah^(1*), Sri Mulyani Sabang⁽²⁾, Tahril Tahril⁽³⁾, Abdur Rahman Arif⁽⁴⁾, Jamaludin Musa Sakung⁽⁵⁾, Muhammad Sulaiman Zubair⁽⁶⁾, Setyanto Tri Wahyudi⁽⁷⁾

(1) Department of Chemistry Education, Faculty of Teacher Training and Education, Tadulako University, Jl. Soekarno Hatta No. 9, Palu 94119, Indonesia
(2) Department of Chemistry Education, Faculty of Teacher Training and Education, Tadulako University, Jl. Soekarno Hatta No. 9, Palu 94119, Indonesia
(3) Department of Chemistry Education, Faculty of Teacher Training and Education, Tadulako University, Jl. Soekarno Hatta No. 9, Palu 94119, Indonesia
(4) Department of Chemistry, Faculty of Mathematics and Natural Sciences, Hasanuddin University, Jl. Perintis Kemerdekaan No. 10, Makassar 90241, Indonesia
(5) Department of Nutrition, Faculty of Public Health, Tadulako University, Jl. Soekarno Hatta No. 9, Palu 94119, Indonesia
(6) Department of Pharmacy, Faculty of Mathematics and Natural Sciences, Tadulako University, Jl. Soekarno Hatta No. 9, Palu 94119, Indonesia
(7) Department of Physics, Faculty of Mathematics and Natural Sciences, IPB University, Jl. Raya Dramaga, Bogor 16680, Indonesia
(*) Corresponding Author

Abstract

Stunted growth remains a critical public health concern, particularly in developing regions. This study investigates the potential of active compounds derived from Sauropus androgynus as dietary supplements for preventing growth stunting, employing a network pharmacology approach. Fifteen phytochemicals were analyzed, leading to the identification of 11 growth-related target proteins. Among them, protein tyrosine phosphatase nonreceptor type 11 (PTPN11) emerged as a key regulatory protein related to cell growth, as determined by protein-protein interaction network analysis. Functional enrichment and pathway analyses further highlighted the relevance of these targets in growth-related mechanisms. Molecular docking was performed to investigate the molecular interactions between the active compounds of S. androgynous and PTPN11. The findings revealed that all compounds could form a complex at the active site of PTPN11. Furthermore, the top five ligands were subjected to MD simulation to evaluate the structural stability of all complexes. Among them, only two lead compounds, such as paeonol and phenylacetaldehyde, are stable in complex with PTPN11 during simulation. The findings suggest that S. androgynus contains promising active compounds that may serve as functional food supplements for preventing stunted growth, highlighting their potential role in improving child growth outcomes among at-risk populations.

Keywords

stunting; supplement; network analysis; in silico

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DOI: https://doi.org/10.22146/ijc.106207