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All Journal Indonesian Journal of Pharmaceutical Science and Technology Jurnal Kesehatan Bakti Tunas Husada JMM (Jurnal Masyarakat Mandiri) JSFK (Jurnal Sains Farmasi & Klinis) Journal of Midwifery Care Journal of Public Health Innovation (JPHI) NUSANTARA: Jurnal Pengabdian Kepada Masyarakat Kreasi: Jurnal Inovasi dan Pengabdian Kepada Masyaraka Sinar: Jurnal Kebidanan Baktimu : Jurnal Pengabdian Kepada Masyarakat
Meti Kusmiati, Meti
Sekolah Tinggi Ilmu Kesehatan Bakti Tunas Husada Tasikmalaya
Humanities Biochemistry, Genetics & Molecular Biology Computer Science & IT Education Environmental Science Health Professions Immunology & microbiology Law, Crime, Criminology & Criminal Justice Medicine & Pharmacology Nursing Public Health Social Sciences Other

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Journal : Indonesian Journal of Pharmaceutical Science and Technology

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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 Aas Sutiawati Adinda Ristra Agisni, Riska Althafah, Zahra Anggrayni, Mutiara Ariandini, Shanti Ariyani, Syafitri AYU RAHMAWATI Azka Salsabila, Naila Danni Ramdhani Dina Nur Septiyanti Erliza R.F, Raden Fasha, Amanda Fauziah, Nurul Azmi Ferdiani, Dina Fitria Lestari Indra Indra Kasmanto, Hendro Khaidiza Dhiazahra, Diffa Meri, Meri Novianti, Puput Nurhasanah, Annisa Nurmalasari, Novianti Nursyam, Resya Rahmadani, Fikria Nur Rianti Nurpalah, Rianti Serliana Maulida, Efril Sri Agung Fitri Kusuma, Sri Agung Suci Ramadhania Sunarti Widya Sari, Indri Yayah Syafariah, Yayah Yumna Razak, Khairunnisa Yusnia, Nina Zakiah, Lela