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All Journal Farmaka Jurnal Sains dan Teknologi Nuklir Indonesia (Indonesian Journal of Nuclear Science and Technology) Indonesian Journal of Pharmaceutical Science and Technology Acta Pharmaceutica Indonesia Indonesian Journal of Chemistry Journal of Global Pharma Technology
Danni Ramdhani
Universitas Padjadjaran
Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Energy Environmental Science Health Professions Immunology & microbiology Materials Science & Nanotechnology Mechanical Engineering Medicine & Pharmacology Physics Public Health

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In-Silico Studies of Musa balbisiana Colla with Proteins Promoting Antibiotic Resistance in Bacterial and Fungal Pathogens Ramdhani, Danni; Kusuma, Sri Agung Fitri; Kusmiati, Meti
Indonesian Journal of Pharmaceutical Science and Technology Vol 11, No 2 (2024)
Publisher : Indonesian Journal of Pharmaceutical Science and Technology

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24198/ijpst.v11i2.54464

Abstract

Fruit of klutuk banana (Musa balbisiana Colla) has been used by Indonesian people to stop the diarrhea caused by the effect of dysentery and also fungal infections of the skin. In this study, we used molecular docking methods to investigate the mechanism of inhibition of their main bioactive compounds cholesta-5,7-dien-3beta-ol, cycloartenol, cyclomusalenone and were compared with the native ligand (the control drugs: amphotericin B, erythromycin and fluconazole) against the proteins responsible for antibiotic resistance in bacterial and fungal pathogens. The target receptor that plays a role were cytochrome P450 14-alpha-sterol demethylase (CYP51), N-myristoyl transferase (NMT), and penicillin-binding protein 3 (PBP3). Swiss ADME servers were used for the determination of Lipinski rule of 5, and drug-likeness prediction respectively, whereas, admetSAR and Protox-II tools were used for toxicity prediction. Cyclomusalenone performed the best binding affinity value -6.0, -8.5, and -6,1 (kcal.mol-1) compared than the control drugs (amphotericin B, erythromycin, and fluconazole). All the bioactive compounds are non-carcinogenic and non-cytotoxic by nature, and they all conform to the Lipinski rule. Based on these data, we recommend predicting the targets of bioactive compound for testing antifungal activity in vitro and in vivo.
Co-Authors Abdul Mutalib Ade Suherman Ahmad Kurniawan Aliya Nur Hasanah Amir Musadad Miftah Anisa Desy Ariyanti Eva Maria Widyasari Henry Ng Henry Ibrahim Dalli Imam Adi Wicaksono Iswahyudi Iswahyudi Karen Low Ka Ling Maula Eka Sriyani Meti Kusmiati, Meti Miftah, Amir Musadad Mutalib, Abdul Nalia El-Huda Ismail Nyi Mekar Saptarini Raden Bayu Indradi Resmi Mustarichie Rusydina Sabila Shelvy Elizabeth Suherman SINTHA NUR FITRIANI Sri Agung Fitri Kusuma, Sri Agung Teguh Hafiz Ambar Wibawa