Jurnal Ilmu Pertanian Indonesia
Vol. 27 No. 1 (2022): Jurnal Ilmu Pertanian Indonesia

Studi In Silico Senyawa Cendawan Endofit Sebagai Kandidat Obat Antiangiogenesis Hemangioma

Masriany Masriany (Program Studi Biologi, Fakultas Sains dan Teknologi, Universitas Islam Negeri Alauddin Makassar)
Risman Rifaldi (Program Studi Biologi, Fakultas Sains dan Teknologi, Universitas Islam Negeri Alauddin Makassar)
Eka Sukmawaty (Program Studi Biologi, Fakultas Sains dan Teknologi, Universitas Islam Negeri Alauddin Makassar)



Article Info

Publish Date
12 Jan 2022

Abstract

Increasing levels of angiogenic factors such as gamma interferon (Y-IF), tumor necrosis factor-beta (TNF-β), and transforming growth factor-beta (TGF-β) are thought to be the cause of the angiogenesis process in hemangiomas. Endophytic fungi are potential in searching for new drug sources due to their antimicrobial, antifungal, and anticancer compounds. This study aimed to determine the potential and interactions of endophytic fungi as candidates for vascular endothelial growth factor receptor-2 (VEGFR-2) angiogenesis hemangiomas and apply Lipinski's rule of five to differentiate drug-like and non-drug-like molecules and in-line toxicity using in silico test. The research method was molecular docking using several programs, namely Autodock Vina (PyRx), PyMol, and Discovery Studio 2019, and tethering five ligands from the endophytic fungus Trichoderma sp. and Aspergillus sp. with 2 VEGFR-2 target proteins (protein codes were 3VHE and 1Y6A). The best binding affinity of the ligands was tested by Lipinski's rule of five and toxicity test using Toxtree. The results showed that benzyl benzoate is potentially an antiangiogenesis inhibitor for VEGFR-2 protein based on its binding affinity value, which is close to the control ligand value of -8.7 kcal/mol (3VHE) and -7.4 kcal/mol (1Y6A). Therefore, benzyl benzoate, chloromycetin, and 1-hexyl-3-nitrobenzene compounds comply with Lipinski's rule of five. Based on the results of the toxicity test and the parameters of the Kroes TTC decision tree, benzyl benzoate and chloromycetin are categorized as safe compounds for consumption. Keywords: angiogenesis, benzyl benzoate, endophytic fungi, molecular docking, VEGFR-2

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Journal Info

Abbrev

JIPI

Publisher

Subject

Agriculture, Biological Sciences & Forestry

Description

Artikel yang dimuat meliputi hasil-hasil penelitian, analisis kebijakan, dan opini-opini yang berhubungan dengan pertanian dalam arti luas, seperti agronomi, ilmu tanah, hama dan penyakit tanamam, ilmu kehewanan, kedokteran veteriner, keteknikan pertanian, teknologi industri, teknologi pangan, ilmu ...