Kajian in Silico Daun Sungkai (Peronema canescens) dalam Menghambat Enzim lanosterol 14-α demethylase Jamur Candida albicans

Nurul Istiqomah, Safitri Fatikasari


Candida albicans (C. albicans) is a fungus that causes candidiasis. C. albicans has the enzyme Lanosterol 14- α demethylase. Lanosterol 14-α-demethylase has bioactivity in converting lanosterol to ergosterol, a special sterol found in fungal membranes, which mediates membrane permeability and fluidity. One way to treat candidiasis is to use traditional medicinal plants. Sungkai (Peronema canescens) can be used as an anti-fungal medicine. Drug development efforts can be done using the In silico method. Objectives of this study was to determine the interaction between terpenoid, flavonoid, and phenol compounds in Sungkai leaves against Lanosterol 14-α demethylase in Candida albicans. The research design used was a pre-experimental one-shot case study. Toxtree software was used to test the toxicity of compounds. Test for compound potency using the Pass Online webserver. Docking molecular using PyRx software. Visualization of docking results using Discovery Studio 2019 Software. Physicochemical test of compounds using Lipinski Test. The results showed that the compounds that had a low risk of toxicity were butanoic, catechol, guaiacol, hydroquinone, isopropanol, methanoic acid, palmitic acid, and phytol. Compounds that have anti-fungal activity based on Pharma-expert analysis are butanoic acid, genkwanin, guaiacol, hydroquinone, isopropanol, palmitic acid, and phytol. Compounds that have hydrogen bonds and binding affinity value <10 and RMSD value <2 are butanoic acid, catechol, genkwanin, guaiacol, hydroquinone, isopropanol, methanoic acid, palmitic acid, and quinic acid compounds. These compounds are thought to inhibit the Lanosterol 14-alpha demethylase enzyme in C. albicans. Compounds that comply with Lipinski's rules are anthocyanin and genkwanin compounds. The groups of compounds found in Sungkai leaves that have antifungal activity are the terpenoids, flavonoids, and phenols.


Candida albicans; Lanosterol 14- α demethylase; Sungkai Leafs; In silico

Full Text:



. Jasminka Talapko, Martina Juzbaši´c, Tatjana Matijevi´c, Emina Pustijanac, Sanja Beki´c, Ivan Kotris, et al. Candida albicans—The Virulence Factors and Clinical Manifestations of Infection. Journal of Fungi. 2021 Jan;7(79):1–19.

. Hakim L, Ramadhian MR. Kandidiasis Oral. Medscape. 2015 Dec;4(8):53–7.

. Leonid Kaluzhskiy, Pavel Ershov, Evgeniy Yablokov, Tatsiana Shkel, Irina Grabovec, Yuri Mezentsev, et al. Human Lanosterol 14-Alpha Demethylase (CYP51A1) Is a Putative Target for Natural Flavonoid Luteolin 7,3′-Disulfate. Molecules. 2021 Apr;26:1–12.

. Galina I. Lepesheva, Michael R. Waterman. Sterol 14α-demethylase cytochrome P450 (CYP51), a P450 in all biological kingdoms. Biochim Biophys Acta. 2007;177:467–77.

. Fillah M, Herawati D, Fakih TM. Uji In-Silico Aktivitas Antikanker Kolorektal Senyawa Organosulfur Bawang Putih (Allium sativum L.) terhadap Protein Target COX-2. Bandung Conference Series: Pharmacy. 2022;2(2):1–4.

. Muhammad R. R., Yasmiwar S., Ida M., Raden M. F., Muchtaridi, Sri A. S. In Silico Study of Bioactive Compounds from Sungkai (Peronema canescens) as Immunomodulator. Int J App Pharm. 2022 Aug;14(4):135–41.

. Ariefa P. Yani, Agus M.H. Putranto. Examination of The Sungkai’s Young Leaf Extract (Peronema canescens) as an Antipiretic, Immunity, Antiplasmodium and Teratogenity in Mice (Mus.muculus) . International Journal of Science and Engineering. 2014 Jul;7(1):30–4.

. Arif Rahman, Gianda Putri Rengganis, Sintia Prayuni, Ine Novriyanti, Tiara Novita Sari, Puspa Dwi Pratiwi, et al. PENGARUH PEMBERIAN INFUSA Daun Sungkai (Peronema canescens) Terhadap Jumlah Leukosit Pada Mencit. Journal of Healthcare Technology and Medicine. 2021 Oct;7(2):614–20.

. N Istiqomah, A H Ramadhani, R S Ningrum, E Purwati. Ethanol extract analysis of stem pineapple (Ananas comosus. L) and its application as antibacterial agent: In vitro and silico studies. 2nd Biennial Conference of Tropical Biodiversity. 2021;886.

. Aditya Tri Ananda, Alsya Firdausi Nuzula, Devi Ayu Safitri. Uji Efek Inhibitorik Komponen Bioaktif Bawang Putih (Allium sativum) terhadapLanosterol 14α-demethylasepadaCandida albicans melalui Studi In Silico. Biota: Jurnal Ilmiah Ilmu-Ilmu iHayat. 2020 Jun;5(2):124–9.

. Alexey Lagunin, Alla Stepanchikova, Dmitrii Filimonov, Vladimir Poroikov. PASS: prediction of activity spectra for biologically active substances. Bioinformatics Applications Note. 2000 Mar;16(8):747–8.

. Sneha Bhatia, Terry Schultz, David Roberts, Jie Shen, Lambros Kromidas, Anne Marie Api. Comparison of Cramer classification between Toxtree, the OECD QSAR Toolbox and expert judgment. Regulatory Toxicology and Pharmacolog. 2015 Nov;71(1):52–62.

. D. S. Druzhilovskiy, A. V. Rudik, D. A. Filimonov, A. A. Lagunin, T. A. Gloriozova, v. V. Poroikov. Online resources for the prediction of biological activity of organic compounds. Russian Chemical Bulletin. 2016 Feb;65(2):384–93.

. Taufik Muhammad Fakih, Firda Aulia Jannati, Annisa Meilani, Dwi Syah Fitra Ramadhan, Fitrianti Darusman. Studi In Silico Aktivitas Analog Senyawa Zizyphine dari Bidara Arab (Zizyphus spina-christi) sebagai Antivirus SARS-CoV-2 terhadap Reseptor 3CLpro . ALCHEMY Jurnal Penelitian Kimia. 2022 Mar;18(1):70–9.

. Paramanindita AS, Indarto D, Balgis. Potensi Scopoletin sebagai Agonis Reseptor Transferin 2 untuk Pengembangan Terapi Anemia Defisiensi Besi. Smart Medical Journal. 2018;1(1):33–41.

. Hardjono S, Siswandono, Purwanto, Darmanto W. Quantitative Structure-Cytotoxic Activity Relationship 1-(Benzoyloxy)urea And Its Derivative. Current Drug Discovery Technollogy. 2016;13(2):101–8.

. Thais Batista Fernandes, Mariana Celestina Frojuello Segretti, Michelle Carneiro Pollic, Roberto Parise-Filho. Analysis of the Applicability and Use of Lipinski`s Rule for Central Nervous System Drugs. Lett Drug Des Discov. 2016 Jun;13(9):1–8.

. Sen DJ, Nandi K, Saha D. Rule of Five Men Army to Cross The Blood Brain Barrier for Therapeutically Potent. WORLD JOURNAL OF ADVANCE HEALTHCARE RESEARCH. 2021 Apr;5(3):206–11.

DOI: https://doi.org/10.37311/ijpe.v3i1.19135


  • There are currently no refbacks.

Copyright (c) 2023 Nurul Istiqomah, Safitri Fatikasari

Creative Commons License
Indonesian Journal of Pharmaceutical Education is licensed under a Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International License.