INHIBITION OF CANDIDA ALBICANS SAP1 BY METABOLITES FROM CERRADO PLANTS: MOLECULAR DOCKING STUDY
DOI:
https://doi.org/10.53740/rsm.v17i2.875Keywords:
Candida albican; Docking; CerradoAbstract
Candidiasis, caused by Candida yeast, leads to bloodstream infections. Factors like antibiotics and weakened immunity render this yeast pathogenic. Antifungal medication options (ergosterol, azoles, polyenes, and echinocandins) are limited. Cerrado species offer medicinal properties. Chemical constituents in essential oils were compared to fluconazole and Pepstatin A. In this molecular docking study, compounds spathulenol and (Z, E)-farnesol show potential as candidates for future investigations targeting C.A.'s SAP1 protein
Key words: Candida albicans; Docking; Cerrado
References
Tsui C, Kong EF, Jabra-Rizk MA. Pathogenesis of Candida Albicans Biofilm. Mobley H, editor. Pathogens and Disease [Internet]. 2016 Mar 9;74(4):ftw018. Available from: https://academic.oup.com/femspd/article/74/4/ftw018/2389141
Albrecht A, Felk A, Pichova I, Naglik JR, Schaller M, de Groot P et al. Glycosylphosphatidylinositol-anchored proteases of Candida albicans target proteins necessary for both cellular processes and host-pathogen interactions. Journal of Biological Chemistry. 2006 Jan 13;281(2):688 - 694. doi: 10.1074/jbc.M509297200
Oliveira C, Fischer G, Barbosa G, Wilson da Silva, Angela J, Kelly Cristina Massarolo. AVALIAÇÃO DA ATIVIDADE ANTIFUNGICA DO ÁCIDO GÁLICO FRENTE ÀS LEVEDURAS Candida albicans E Candida tropicalis. Anais do(a) Anais do Congresso Brasileiro Interdisciplinar em Ciência e Tecnologia. 2023 Jan 1;
Rangel M, Santana C, Pinheiro A, Anjos L, Barth T, Júnior O, et al. Marine Depsipeptides as Promising Pharmacotherapeutic Agents. Current Protein & Peptide Science. 2016 Nov 10;18(1):72–91.
Borelli C, Ruge E, Lee JH, Schaller M, Vogelsang A, Monod M, et al. X-ray structures of Sap1 and Sap5: Structural comparison of the secreted aspartic proteinases from Candida albicans. Proteins: Structure, Function, and Bioinformatics. 2008 Apr 2;72(4):1308–19.
Naglik JR, Challacombe SJ, Hube B. Candida albicans Secreted Aspartyl Proteinases in Virulence and Pathogenesis. Microbiology and Molecular Biology Reviews. 2003 Sep 1;67(3):400–28.
Bastos RW, Rossato L, Goldman GH, Santos DA. Fungicide effects on human fungal pathogens: Cross-resistance to medical drugs and beyond. Xue C, editor. PLOS Pathogens. 2021 Dec 9;17(12):e1010073.
Freire ICM, Pérez ALAL, Cardoso AMR, Mariz BALA, Almeida LFD, Cavalcanti YW, et al. Atividade antibacteriana de Óleos Essenciais sobre Streptococcus mutans e Staphylococcus aureus. Revista Brasileira de Plantas Medicinais. 2014;16(2 suppl 1):372–7.
Alves CCF, Oliveira JD, Estevam EBB, Xavier MN, Nicolella HD, Furtado RA, et al. Antiproliferative activity of essential oils from three plants of the Brazilian Cerrado: Campomanesia adamantium (Myrtaceae), Protium ovatum (Burseraceae) and Cardiopetalum calophyllum (Annonaceae). Brazilian Journal of Biology. 2020 Jun;80(2):290–4.
Alqahtani S. In silicoADME-Tox modeling: progress and prospects. Expert Opinion on Drug Metabolism & Toxicology. 2017 Oct 13;13(11):1147–58.
Pereira Vilhena do Nascimento G, Viegas de Oliveira J. Ação da atividade antifúngica in vitro dos óleos essenciais de Copaifera officinalis, Eugenia caryophylata, Melaleuca alternifolia, Rosmarinus officinalis e Thymus vulgaris ante os agentes causais de onicomicose. REVISTA IBERO-AMERICANA DE PODOLOGIA. 2019 Nov 17;1(2):56–64.
Meng XY, Zhang HX, Mezei M, Cui M. Molecular Docking: A Powerful Approach for Structure-Based Drug Discovery. Current Computer Aided-Drug Design. 2011 Jun 1;7(2):146–57.
Sulimov VB, Kutov DC, Sulimov AV. Advances in Docking. Current Medicinal Chemistry. 2018 Sep 4;25.
Eberhardt J, Santos-Martins D, Tillack AF, Forli S. AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python Bindings. Journal of Chemical Information and Modeling. 2021 Jul 19;61(8).
Hanwell MD, Curtis DE, Lonie DC, Vandermeersch T, Zurek E, Hutchison GR. Avogadro: an advanced semantic chemical editor, visualization, and analysis platform. Journal of Cheminformatics. 2012 Aug 13;4(1).
Morris GM, Huey R, Lindstrom W, Sanner MF, Belew RK, Goodsell DS, et al. AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility. Journal of Computational Chemistry [Internet]. 2009 Dec;30(16):2785–91. Available from: http://onlinelibrary.wiley.com/doi/10.1002/jcc.21256/references
Abad-Zapatero C. Ligand efficiency indices for effective drug discovery. Expert Opinion on Drug Discovery. 2007 Apr;2(4):469–88.
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