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Article

In Silico and In Vitro Evaluation of the Antifungal Activity of a New Chromone Derivative against Candida spp

by
Gleycyelly Rodrigues Araújo
1,
Palloma Christine Queiroga Gomes da Costa
2,
Paula Lima Nogueira
2,
Danielle da Nóbrega Alves
2,
Alana Rodrigues Ferreira
3,4,
Pablo R. da Silva
2,
Jéssica Cabral de Andrade
3,4,
Natália F. de Sousa
3,4,
Paulo Bruno Araujo Loureiro
3,4,
Marianna Vieira Sobral
3,4,
Damião P. Sousa
3,4,
Marcus Tullius Scotti
3,4,
Ricardo Dias de Castro
2,3,4 and
Luciana Scotti
3,4,5,*
1
Department of Clinical and Social Dentistry, Federal University of Paraíba, Campus I, João Pessoa 58051-900, PB, Brazil
2
Postgraduate Program in Dentistry, Department of Clinic and Social Dentistry, Center of Health Sciences, Federal University of Paraiba (UFPB), João Pessoa 58051-900, PB, Brazil
3
Postgraduate Program in Natural and Synthetic Bioactive Products, Federal University of Paraíba, João Pessoa 58051-900, PB, Brazil
4
Health Sciences Center, Federal University of Paraíba, Campus I, João Pessoa 58051-900, PB, Brazil
5
Institute of Drugs and Medicines Research, Federal University of Paraíba, Via Ipê Amarelo, S/N, João Pessoa 58051-900, PB, Brazil
*
Author to whom correspondence should be addressed.
BioTech 2024, 13(2), 16; https://doi.org/10.3390/biotech13020016
Submission received: 10 April 2024 / Revised: 10 May 2024 / Accepted: 20 May 2024 / Published: 25 May 2024
(This article belongs to the Special Issue Feature Papers in Computational Biology)

Abstract

Candida species are frequently implicated in the development of both superficial and invasive fungal infections, which can impact vital organs. In the quest for novel strategies to combat fungal infections, there has been growing interest in exploring synthetic and semi-synthetic products, particularly chromone derivatives, renowned for their antimicrobial properties. In the analysis of the antifungal activity of the compound (E)-benzylidene-chroman-4-one against Candida, in silico and laboratory tests were performed to predict possible mechanisms of action pathways, and in vitro tests were performed to determine antifungal activity (MIC and MFC), to verify potential modes of action on the fungal cell membrane and wall, and to assess cytotoxicity in human keratinocytes. The tested compound exhibited predicted affinity for all fungal targets, with the highest predicted affinity observed for thymidylate synthase (−102.589 kJ/mol). MIC and CFM values ranged from 264.52 μM (62.5 μg/mL) to 4232.44 μM (1000 μg/mL). The antifungal effect likely occurs due to the action of the compound on the plasma membrane. Therefore, (E)-benzylidene-chroman-4-one showed fungicidal-like activity against Candida spp., possibly targeting the plasma membrane.
Keywords: oral candidiasis; Candida albicans; antifungals; chromones oral candidiasis; Candida albicans; antifungals; chromones

Share and Cite

MDPI and ACS Style

Araújo, G.R.; Costa, P.C.Q.G.d.; Nogueira, P.L.; Alves, D.d.N.; Ferreira, A.R.; da Silva, P.R.; de Andrade, J.C.; de Sousa, N.F.; Loureiro, P.B.A.; Sobral, M.V.; et al. In Silico and In Vitro Evaluation of the Antifungal Activity of a New Chromone Derivative against Candida spp. BioTech 2024, 13, 16. https://doi.org/10.3390/biotech13020016

AMA Style

Araújo GR, Costa PCQGd, Nogueira PL, Alves DdN, Ferreira AR, da Silva PR, de Andrade JC, de Sousa NF, Loureiro PBA, Sobral MV, et al. In Silico and In Vitro Evaluation of the Antifungal Activity of a New Chromone Derivative against Candida spp. BioTech. 2024; 13(2):16. https://doi.org/10.3390/biotech13020016

Chicago/Turabian Style

Araújo, Gleycyelly Rodrigues, Palloma Christine Queiroga Gomes da Costa, Paula Lima Nogueira, Danielle da Nóbrega Alves, Alana Rodrigues Ferreira, Pablo R. da Silva, Jéssica Cabral de Andrade, Natália F. de Sousa, Paulo Bruno Araujo Loureiro, Marianna Vieira Sobral, and et al. 2024. "In Silico and In Vitro Evaluation of the Antifungal Activity of a New Chromone Derivative against Candida spp" BioTech 13, no. 2: 16. https://doi.org/10.3390/biotech13020016

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