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Aditya Naova Sofyan
Universitas Muhammadiyah Surakarta
Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Immunology & microbiology Materials Science & Nanotechnology Medicine & Pharmacology Nursing Public Health

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Uji Aktivitas Sitotoksik Daun Benalu Jeruk (Dendrophthoe glabrescens) terhadap Garis Sel Kanker Payudara: Studi In Silico: - Aditya Naova Sofyan; Rizal Maarif Rukmana; Andi Suhendi
Journal of Pharmaceutical and Sciences JPS Volume 9 Nomor 1 (2026)
Publisher : Fakultas Farmasi Universitas Tjut Nyak Dhien

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.36490/journal-jps.com.v9i1.1417

Abstract

This study aims investigate the potential of phytochemical compounds from citrus mistletoe leaves (Dendrophthoe glabrescens) leaves as anticancer candidates using an in silico approach. Phytocemical constituents identified by LC-MS and screened using Lipinski’s Rule of Five. Followed by Absorption, Distribution, Metabolism, Excretion and Toxicity (ADMET) prediction using ProTox-3.0. The docking protocol was validated with root mean square deviation (RMSD) values of 1.80 Å for epidermal growth factor receptor (EGFR) (PDB ID: 1M17) and 0.69 Å  for estrogen receptor-α (ER-α) (PDB ID: 1A52). Tenylidone exhibited the strongest binding affinity toward EGFR (-8.12 kcal/mol), followed by quercetin (−7.48 kcal/mol) and kaempferol (−7.43 kcal/mol). For estrogen receptor alpha, fisetin showed the strongest affinity among the tested D. glabrescens compounds (−8.21 kcal/mol), followed by nomelidine (−8.16 kcal/mol) and tenylidone (−7.95 kcal/mol). Kaempferol showed the most favorable predicted acute toxicity profile among the leading compounds, with an estimated LD50 of 3919 mg/kg and toxicity class 5. Overall, tenylidone and fisetin were prioritized for epidermal growth factor receptor and estrogen receptor alpha, respectively, while kaempferol showed a favorable predicted safety profile.
Co-Authors Andi Suhendi Rizal Maarif Rukmana