BIOEDUSAINS: Jurnal Pendidikan Biologi dan Sains
Vol. 9 No. 4 (2026): BIOEDUSAINS:Jurnal Pendidikan Biologi dan Sains

Studi in Silico Senyawa Fitokimia Daun Ketepeng Cina (Cassia alata) sebagai kandidat antibakteri Staphylococcus aureus Penyebab Impetigo

Sintya (Universitas Mulawarman)
Dora Dayu Rahma Turista (Universitas Mulawarman)
Elsje Theodora Maasawet (Universitas Mulawarman)
Risty Geofani (Universitas Mulawarman)
Miningsih (Universitas Mulawarman)
Rusni Ernopita Ulan (Universitas Mulawarman)
Dorce Bani (Universitas Mulawarman)



Article Info

Publish Date
15 Jul 2026

Abstract

This study aimed to analyze the potential of phytochemical compounds from Cassia alata leaves — emodin, chrysophanol, rhein, kaempferol, quercetin, and physcion — as antibacterial candidates against the FtsZ protein (Staphylococcus aureus, PDB ID: 4DXD), the cause of impetigo. The method used was molecular docking. The results showed that kaempferol had the best binding affinity (-9.6 kcal/mol), followed by rhein and quercetin (-9.2 kcal/mol), with key interactions consisting of hydrogen bonds at residues THR309, ASN263, and GLY196, as well as hydrophobic interactions at residues LEU200 and VAL297. All compounds complied with Lipinski's Rule of Five (0 violations, bioavailability 0.55–0.56) and were non-carcinogenic, although some showed hepatotoxicity potential (LD50 1190–5000 mg/kg, class IV–V); bioactivity prediction further confirmed high antibacterial potential. In conclusion, kaempferol and rhein were recommended as promising candidates for further verification, given the existing resistance to antibiotics such as levofloxacin.  Keywords: Cassia alata, FtsZ, Kaempferol, Molecular Docking

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Journal Info

Abbrev

BIOEDUSAINS

Publisher

Subject

Education

Description

Bioedusains: Jurnal Pendidikan Biologi dan Sains published by Institut Penelitian Matematika, Komputer, Keperawatan, Pendidikan dan Ekonomi (IPM2KPE) as an information and communication media for practitioners, researchers and academics who are interested in the field and development of biology ...