Next Article in Journal
Progress in the Regulation of Immune Cells in the Tumor Microenvironment by Bioactive Compounds of Traditional Chinese Medicine
Next Article in Special Issue
Preliminary Screening on Antibacterial Crude Secondary Metabolites Extracted from Bacterial Symbionts and Identification of Functional Bioactive Compounds by FTIR, HPLC and Gas Chromatography–Mass Spectrometry
Previous Article in Journal
Facile Synthesis of Dual-Functional Cross-Linked Membranes with Contact-Killing Antimicrobial Properties and Humidity-Response
Previous Article in Special Issue
Bioactive Compounds from P. pertomentellum That Regulate QS, Biofilm Formation and Virulence Factor Production of P. aeruginosa
 
 
Font Type:
Arial Georgia Verdana
Font Size:
Aa Aa Aa
Line Spacing:
Column Width:
Background:
Article

Antifungal Potential of Secondary Metabolites Derived from Arcangelisia flava (L.) Merr.: An Analysis of In Silico Enzymatic Inhibition and In Vitro Efficacy against Candida Species

1
Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Riau, Pekanbaru 28291, Indonesia
2
Center of Excellence in Pharmaceutical Care Innovation, Universitas Padjadjaran, Bandung 40600, Indonesia
3
Sekolah Tinggi Ilmu Farmasi Riau, Pekanbaru 28293, Indonesia
4
Department of Pharmacology and Clinical Pharmacy, Faculty of Pharmacy, Universitas Padjadjaran, Jatinangor, Sumedang 45363, Indonesia
*
Author to whom correspondence should be addressed.
Molecules 2024, 29(10), 2373; https://doi.org/10.3390/molecules29102373
Submission received: 23 April 2024 / Revised: 12 May 2024 / Accepted: 16 May 2024 / Published: 17 May 2024
(This article belongs to the Special Issue Antimicrobial Properties of Natural Products (Volume Ⅱ))

Abstract

Considering the escalating resistance to conventional antifungal medications, it is critical to identify novel compounds that can efficiently counteract this challenge. The purpose of this research was to elucidate the fungicidal properties of secondary metabolites derived from Arcangelisia flava, with a specific focus on their efficacy against Candida species. This study utilized a combination approach comprising laboratory simulations and experiments to discern and evaluate the biologically active constituents present in the dichloromethane extract of A. flava. The in vitro experiments demonstrated that compounds 1 (palmatine) and 2 (fibraurin) exhibited antifungal properties. The compounds exhibited minimum inhibitory concentrations (MICs) ranging from 15.62 to 62.5 µg/mL against Candida sp. Moreover, compound 1 demonstrated a minimum fungicidal concentration (MFC) of 62.5 µg/mL against Candida glabrata and C. krusei. In contrast, compound 2 exhibited an MFC of 125 µg/mL against both Candida species. Based on a molecular docking study, it was shown that compounds 1 and 2 have a binding free energy of −6.6377 and −6.7075 kcal/mol, respectively, which indicates a strong affinity and specificity for fungal enzymatic targets. This study utilized pharmacophore modeling and Density Functional Theory (DFT) simulations to better understand the interaction dynamics and structural properties crucial for antifungal activity. The findings underscore the potential of secondary metabolites derived from A. flava to act as a foundation for creating novel and highly efficient antifungal treatments, specifically targeting fungal diseases resistant to existing treatment methods. Thus, the results regarding these compounds can provide references for the next stage in antifungal drug design. Further investigation is necessary to thoroughly evaluate these natural substances’ clinical feasibility and safety characteristics, which show great potential as antifungal agents.
Keywords: antifungal activity; Arcangelisia flava; bioassay-guided fractionation; Candida species; molecular docking; pharmacophore modeling; secondary metabolites antifungal activity; Arcangelisia flava; bioassay-guided fractionation; Candida species; molecular docking; pharmacophore modeling; secondary metabolites

Share and Cite

MDPI and ACS Style

Hendra, R.; Agustha, A.; Frimayanti, N.; Abdulah, R.; Teruna, H.Y. Antifungal Potential of Secondary Metabolites Derived from Arcangelisia flava (L.) Merr.: An Analysis of In Silico Enzymatic Inhibition and In Vitro Efficacy against Candida Species. Molecules 2024, 29, 2373. https://doi.org/10.3390/molecules29102373

AMA Style

Hendra R, Agustha A, Frimayanti N, Abdulah R, Teruna HY. Antifungal Potential of Secondary Metabolites Derived from Arcangelisia flava (L.) Merr.: An Analysis of In Silico Enzymatic Inhibition and In Vitro Efficacy against Candida Species. Molecules. 2024; 29(10):2373. https://doi.org/10.3390/molecules29102373

Chicago/Turabian Style

Hendra, Rudi, Aulia Agustha, Neni Frimayanti, Rizky Abdulah, and Hilwan Yuda Teruna. 2024. "Antifungal Potential of Secondary Metabolites Derived from Arcangelisia flava (L.) Merr.: An Analysis of In Silico Enzymatic Inhibition and In Vitro Efficacy against Candida Species" Molecules 29, no. 10: 2373. https://doi.org/10.3390/molecules29102373

APA Style

Hendra, R., Agustha, A., Frimayanti, N., Abdulah, R., & Teruna, H. Y. (2024). Antifungal Potential of Secondary Metabolites Derived from Arcangelisia flava (L.) Merr.: An Analysis of In Silico Enzymatic Inhibition and In Vitro Efficacy against Candida Species. Molecules, 29(10), 2373. https://doi.org/10.3390/molecules29102373

Article Metrics

Back to TopTop