The Potential of Albizia Saponaria compounds against Malassezia furfur: In-silico Studies Resmi Mustarichie*, Danni Ramdhani Department of Pharmaceutical Analysis and Medicinal Chemistry, Faculty of Pharmacy, Universitas Padjadjaran, Indonesia

  • Resmi Mustarichie Department of Pharmaceutical Analysis and Medicinal Chemistry, Faculty of Pharmacy, Universitas Padjadjaran, Indonesia
  • Danni Ramdhani Department of Pharmaceutical Analysis and Medicinal Chemistry, Faculty of Pharmacy, Universitas Padjadjaran, Indonesia

Abstract

Albizia saponaria has been reported as a potential anti-dandruff based on empirical use, but until now there is no scientific data showing its activity. Therefore, researchers are interested in testing gynecological fractions with in vitro and in silico approaches by targeting the fungus Malassezia furfur which is a fungus that plays a major role in producing dandruff. In silico testing was carried out by molecular docking method for the lanosterol 14-alpha demethylase receptor with a homology model using 48 compounds from the albazia genus as ligands. From in vitro testing of 3 fractions, n-hexane, ethyl acetate, and water, it was found that the water fraction had a moderate inhibition zone of 17.33 mm at 15% concentration and 18.67 mm at 20% concentration, showing better results. The in silico test revealed 3 metabolites in langur plants, providing better binding energy than ketoconazole (-10.1 kcal/mol), namely kaempferol 3-rhamnosyl galactosides (-11.7 kcal/mol), acasioside A (- 10.3), and albiziasaponin E (-10.7).


 

Keywords: Keywords: Albizia saponaria, Malassezia furfur, in silico, anti-dandruff

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Author Biographies

Resmi Mustarichie, Department of Pharmaceutical Analysis and Medicinal Chemistry, Faculty of Pharmacy, Universitas Padjadjaran, Indonesia

Department of Pharmaceutical Analysis and Medicinal Chemistry, Faculty of Pharmacy, Universitas Padjadjaran, Indonesia

Danni Ramdhani, Department of Pharmaceutical Analysis and Medicinal Chemistry, Faculty of Pharmacy, Universitas Padjadjaran, Indonesia

Department of Pharmaceutical Analysis and Medicinal Chemistry, Faculty of Pharmacy, Universitas Padjadjaran, Indonesia

References

1. Borda, Luis J, and Tongyu C Wikramanayake. 2015. “Seborrheic Dermatitis and Dandruff: A Comprehensive Review.” Journal of Clinical and Investigative Dermatology 3 (2). https://doi.org/10.13188/2373-1044.1000019.
2. Misery, Laurent, Nora Rahhali, Antoine Duhamel, and Charles Taieb. 2013. “Epidemiology of Dandruff, Scalp Pruritus and Associated Symptoms.” Acta Dermato-Venereologica. Sweden. https://doi.org/10.2340/00015555-1315.
3. López-Ponce, D, F Zuazo, C Cartes, D Salinas-Toro, C Pérez-Valenzuela, F Valenzuela, L Traipe-Castro, and R O López-Solís. 2017. “High Prevalence of Demodex Spp. Infestation among Patients with Posterior Blepharitis: Correlation with Age and Cylindrical Dandruff.” Archivos de La Sociedad Espanola de Oftalmologia 92 (9): 412–18. https://doi.org/10.1016/j.oftal.2017.01.001.
4. Paulino, Luciana Campos. 2017. “New Perspectives on Dandruff and Seborrheic Dermatitis: Lessons We Learned from Bacterial and Fungal Skin Microbiota.” European Journal of Dermatology : EJD 27 (S1): 4–7. https://doi.org/10.1684/ejd.2017.3038.
5. Manuel, Frederick, and S Ranganathan. 2011. “A New Postulate on Two Stages of Dandruff: A Clinical Perspective.” International Journal of Trichology 3 (1): 3–6. https://doi.org/10.4103/0974-7753.82117.
6. Turner, G A, M Hoptroff, and C R Harding. 2012. “Stratum Corneum Dysfunction in Dandruff.” International Journal of Cosmetic Science 34 (4): 298–306. https://doi.org/10.1111/j.1468-2494.2012.00723.x.
7. Saxena, Rituja, Parul Mittal, Cecile Clavaud, Darshan B Dhakan, Prashant Hegde, Mahesh M Veeranagaiah, Subarna Saha, et al. 2018. “Comparison of Healthy and Dandruff Scalp Microbiome Reveals the Role of Commensals in Scalp Health.” Frontiers in Cellular and Infection Microbiology 8: 346. https://doi.org/10.3389/fcimb.2018.00346.
8. Lin, Qingbin, Ananth Panchamukhi, Pan Li, Wang Shan, Hongwei Zhou, Lihua Hou, and Wei Chen. 2021. “Malassezia and Staphylococcus Dominate Scalp Microbiome for Seborrheic Dermatitis.” Bioprocess and Biosystems Engineering 44 (5): 965–75. https://doi.org/10.1007/s00449-020-02333-5.
9. Cabañes, F Javier. 2014. “Malassezia Yeasts: How Many Species Infect Humans and Animals?” PLoS Pathogens 10 (2): e1003892. https://doi.org/10.1371/journal.ppat.1003892.
10. Hay, R J. 2011. “Malassezia, Dandruff and Seborrhoeic Dermatitis: An Overview.” The British Journal of Dermatology 165 Suppl 2 (October): 2–8. https://doi.org/10.1111/j.1365-2133.2011.10570.x.
11. Punyoyai, Chanun, Sasithorn Sirilun, Panuwan Chantawannakul, and Wantida Chaiyana. 2018. “Development of Antidandruff Shampoo from the Fermented Product of Ocimum Sanctum Linn.” Cosmetics 5 (3): 1–12. https://doi.org/10.3390/cosmetics5030043.
12. Bulmer, A C, and G S Bulmer. 1999. “The Antifungal Action of Dandruff Shampoos.” Mycopathologia 147 (2): 63–65. https://doi.org/10.1023/a:1007132830164.
13. Loing, Estelle, Elisabeth Lamarque, and Magali Borel. 2017. “New Targets in the Battle against Dandruff.” Journal of Cosmetic Science 68 (1): 107–13.
14. Angiolella, Letizia, Simone Carradori, Cristina Maccallini, Gustavo Giusiano, and Claudiu T Supuran. 2017. “Targeting Malassezia Species for Novel Synthetic and Natural Antidandruff Agents.” Current Medicinal Chemistry 24 (22): 2392–2412. https://doi.org/10.2174/0929867324666170404110631.
15. Hamundu, Mahmud, and Ruslin Sahidin. 2008. “Identifikasi Dan Determinasi Tanaman Obat Tradisional Masyarakat Sulawesi Tenggara Pada Arboretum Prof. Mahmud Hamundu Universitas Haluoleo.” Majalah Farmasi Indonesia 19 (2): 101–7.
16. Al-Massarani, Shaza M, Ali A El Gamal, Mohamed F Abd El Halim, Mansour S Al-Said, Maged S Abdel-Kader, Omer A Basudan, and Saleh I Alqasoumi. 2017a. “New Acyclic Secondary Metabolites from the Biologically Active Fraction of Albizia Lebbeck Flowers.” Saudi Pharmaceutical Journal 25 (1): 110–19. https://doi.org/https://doi.org/10.1016/j.jsps.2016.05.006.
17. Mohamed, Tahia K, Mahmoud I Nassar, Ahmed H Gaara, Walaa A El-Kashak, Iñaki Brouard, and Sayed A El-Toumy. 2013. “Secondary Metabolites and Bioactivities of Albizia Anthelmintica.” Pharmacognosy Research 5 (2): 80–85. https://doi.org/10.4103/0974-8490.110530.
18. Hussain, Mohammad Musarraf, Faiza Tahia, and Mohammad A Rashid. 2016. “Secondary Metabolites from Some Species of Albizzia : A Review” 19 (1): 1–8.
19. Apweiler, Rolf, Amos Bairoch, Cathy H Wu, Winona C Barker, Brigitte Boeckmann, Serenella Ferro, Elisabeth Gasteiger, et al. 2004. “UniProt: The Universal Protein Knowledgebase.” Nucleic Acids Research 32 (Database issue): D115-9. https://doi.org/10.1093/nar/gkh131.
20. Schwede, Torsten, Jürgen Kopp, Nicolas Guex, and Manuel C Peitsch. 2003. “SWISS-MODEL: An Automated Protein Homology-Modeling Server.” Nucleic Acids Research 31 (13): 3381–85. https://doi.org/10.1093/nar/gkg520.
21. McGinnis, Scott, and Thomas L Madden. 2004. “BLAST: At the Core of a Powerful and Diverse Set of Sequence Analysis Tools.” Nucleic Acids Research 32 (Web Server issue): W20-5. https://doi.org/10.1093/nar/gkh435.
22. Hollingsworth, Scott A, and P Andrew Karplus. 2010. “A Fresh Look at the Ramachandran Plot and the Occurrence of Standard Structures in Proteins.” Biomolecular Concepts 1 (3–4): 271–83. https://doi.org/10.1515/BMC.2010.022.
23. Ho, Bosco K, and Robert Brasseur. 2005. “The Ramachandran Plots of Glycine and Pre-Proline” 11: 1–11. https://doi.org/10.1186/1472-6807-5-14.
24. Huey, Ruth, Garrett M. Morris, and Stefano Forli. 2012. “Using AutoDock 4 and AutoDock Vina with AutoDockTools: A Tutorial.” The Scripps Research Institute Molecular.
25. Lolok, Nikeherpianti, Sri Adi Sumiwi, Ahmad Muhtadi, Yasmiwar Susilawati, Rini Hendriani, Dwi Syah, Fitra Ramadhan, Jutti Levita, and Idin Sahidin. 2021. “Molecular Docking and Molecular Dynamics Studies of Bioactive Compounds Contained in Noni Fruit ( Morinda Citrifolia L .) against Human Pancreatic α -Amylase.” Journal of Biomolecular Structure and Dynamics 0 (0): 1–8.
https://doi.org/10.1080/07391102.2021.1894981.
26. Fiser, Andras. 2010. “Template-Based Protein Structure Modeling.” Methods in Molecular Biology (Clifton, N.J.) 673: 73–94. https://doi.org/10.1007/978-1-60761-842-3_6.
27. Fang, Ye. 2012. “Ligand–Receptor Interaction Platforms and Their Applications for Drug Discovery.” Expert Opinion on Drug Discovery 7 (10): 969–88. https://doi.org/10.1517/17460441.2012.715631.
28. Chen, Deliang, Numan Oezguen, Petri Urvil, Colin Ferguson, Sara M Dann, and Tor C Savidge. 2016. “Regulation of Protein-Ligand Binding Affinity by Hydrogen Bond Pairing.” Science Advances 2 (3): e1501240. https://doi.org/10.1126/sciadv.1501240.
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Mustarichie, R., & Ramdhani, D. (2022). The Potential of Albizia Saponaria compounds against Malassezia furfur: In-silico Studies Resmi Mustarichie*, Danni Ramdhani Department of Pharmaceutical Analysis and Medicinal Chemistry, Faculty of Pharmacy, Universitas Padjadjaran, Indonesia. Asian Journal of Pharmaceutical Research and Development, 10(3), 6-16. https://doi.org/https://doi.org/10.22270/ajprd.v10i3.1134