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All Journal Sinteza Indonesian Global Journal Of Medical Research and Development
Khairunnisa Khairunnisa
STIK Siti Khadijah
Biochemistry, Genetics & Molecular Biology Chemistry Health Professions Immunology & microbiology Medicine & Pharmacology Nursing Public Health

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What Solvent is Actually the Best for Extracting Andrographolide? – Computational Evaluation of the Atomic Behavior in Different Solvent Models Arif Setiawansyah; Khairunnisa Khairunnisa; Mayaranti Wilsya
Sinteza Vol. 6 No. 1 (2026): February
Publisher : Universitas Hamzanwadi

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29408/sinteza.v6i1.33127

Abstract

Andrographolide, a bioactive diterpenoid lactone from Andrographis paniculata, exhibits significant anti-inflammatory, antimicrobial, and anticancer properties, making solvent selection critical for optimizing extraction efficiency while preserving bioactivity. This study aimed to identify the optimal solvent for andrographolide extraction through computational evaluation of solvation thermodynamics and electronic properties using density functional theory. Geometry optimization and solvation calculations were performed at the B3LYP/def2-SVP level using the Conductor-like Polarizable Continuum Model (CPCM) in ORCA version 6.0.1 across twelve solvent systems including water, alcohols, aprotic solvents, and non-polar media. Molecular properties including solvation free energy, frontier molecular orbitals, global chemical reactivity descriptors, dipole moment, atomic charge distribution, molecular electrostatic potential, and infrared spectra were systematically analyzed. Results demonstrated that water exhibited the most favorable solvation free energy at -76.64 kJ/mol, superior to all other examined solvents including acetonitrile (-75.30 kJ/mol), methanol (-75.05 kJ/mol), and significantly better than hexane (-33.52 kJ/mol). Water induces optimal dipole moment enhancement to 1.253 Debye while maintaining stable HOMO-LUMO energy gap of 5.009 eV and consistent global reactivity descriptors, confirming preservation of intrinsic chemical properties and bioactivity. Infrared spectroscopic analysis revealed complete structural integrity in aqueous environment. This computational study establishes water as the superior extraction medium for andrographolide based on exceptional thermodynamic favorability, optimal electronic stabilization, maintained molecular stability, and practical advantages including non-toxicity and environmental sustainability.
COMPARISON OF ANTIFUNGAL INHIBITORY EFFECT OF FLUCONAZOLE AND ITRACONAZOLE AGAINST CANDIDA ALBICANS ATCC 10231 USING DISC DIFFUSION METHOD Edy Sapada; Khairunnisa Khairunnisa; Dwi Anggraini; Wita Asmalinda
Indonesian Global Journal Of Medical Research and Development Vol 2 No 1 (2026)
Publisher : Universitas Indo Global Mandiri

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.36982/igjmrd.v2i1.7379

Abstract

Latar Belakang : Infeksi jamur oportunistik yang disebabkan oleh Candida albicans masih menjadi tantangan medis global seiring meningkatnya risiko resistensi terhadap antijamur golongan azole, khususnya Flukonazol dan Itrakonazol. Pengawasan efektivitas obat secara berkala menggunakan standar acuan strain sangat krusial untuk menjamin kualitas terapi klinis. Penelitian ini bertujuan untuk mengidentifikasi isolat uji serta membandingkan efektivitas antijamur hambat daya antara Flukonazol dan Itrakonazol terhadap pertumbuhan Candida albicans ATCC 10231. Metode : Penelitian eksperimental laboratorium ini diawali dengan konfirmasi identitas isolat secara makroskopis pada media Potato Dextrose Agar (PDA) dan mikroskopis dengan KOH 10%. Uji aktivitas antijamur dilakukan menggunakan metode difusi cakram ( disc diffusion method ) terhadap delapan jenis sampel sediaan (baku, generik, dan paten) Flukonazol dan Itrakonazol pada konsentrasi setara 800 mg/mL dengan tiga kali replikasi. Data diameter zona hambat diuji homogenitasnya dan dianalisis menggunakan uji statistik t-test . Hasil : Karakterisasi mengkonfirmasi isolat sebagai Candida albicans dengan ciri koloni putih berbau, berbau asam ragi, serta memiliki bentuk sel ragi oval Gram-positif dan pseudohifa. Seluruh sampel antijamur menghasilkan diameter zona bening di atas 10 mm (kategori kuat). Uji homogenitas menunjukkan sebaran data yang konsisten (P=0,243). Hasil Independent t-test menunjukkan rerata total zona hambat Itrakonazol (15,37 ± 1,02 mm) secara signifikan lebih tinggi dibandingkan Flukonazol (13,41 ± 0,74 mm) dengan nilai selisih 1,96 mm (P = 0,000). Kesimpulan : Flukonazol dan Itrakonazol memiliki aktivitas antijamur yang kuat terhadap Candida albicans ATCC 10231, namun Itrakonazol menunjukkan efek inhibisi yang secara signifikan lebih unggul dibandingkan Flukonazol karena keunggulan afinitas struktur molekulnya.
Co-Authors Arif Setiawansyah Dwi Anggraini Edy Sapada Mayaranti Wilsya Wita Asmalinda