Exploring the Potential of Malvidin and Echiodinin as Probable Antileishmanial Agents Through In Silico Analysis and In Vitro Efficacy
Leishmaniasis, a neglected tropical disease caused by <i>Leishmania</i> species, presents serious public health challenges due to limited treatment options, toxicity, high costs, and drug resistance. In this study, the in vitro potential of malvidin and echioidinin is examined as antilei...
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2025-01-01
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| author | Luis Daniel Goyzueta-Mamani Daniela Pagliara Lage Haruna Luz Barazorda-Ccahuana Margot Paco-Chipana Mayron Antonio Candia-Puma Gonzalo Davila-Del-Carpio Alexsandro Sobreira Galdino Ricardo Andrez Machado-de-Avila Rodolfo Cordeiro Giunchetti Edward L. D’Antonio Eduardo Antonio Ferraz Coelho Miguel Angel Chávez-Fumagalli |
| author_facet | Luis Daniel Goyzueta-Mamani Daniela Pagliara Lage Haruna Luz Barazorda-Ccahuana Margot Paco-Chipana Mayron Antonio Candia-Puma Gonzalo Davila-Del-Carpio Alexsandro Sobreira Galdino Ricardo Andrez Machado-de-Avila Rodolfo Cordeiro Giunchetti Edward L. D’Antonio Eduardo Antonio Ferraz Coelho Miguel Angel Chávez-Fumagalli |
| author_sort | Luis Daniel Goyzueta-Mamani |
| collection | DOAJ |
| description | Leishmaniasis, a neglected tropical disease caused by <i>Leishmania</i> species, presents serious public health challenges due to limited treatment options, toxicity, high costs, and drug resistance. In this study, the in vitro potential of malvidin and echioidinin is examined as antileishmanial agents against <i>L. amazonensis</i>, <i>L. braziliensis</i>, and <i>L. infantum</i>, comparing their effects to amphotericin B (AmpB), a standard drug. Malvidin demonstrated greater potency than echioidinin across all parasite stages and species. Against <i>L. amazonensis</i>, malvidin’s IC<sub>50</sub> values were 197.71 ± 17.20 µM (stationary amastigotes) and 258.07 ± 17 µM (axenic amastigotes), compared to echioidinin’s 272.99 ± 29.90 μM and 335.96 ± 19.35 μM. AmpB was more potent, with IC<sub>50</sub> values of 0.06 ± 0.01 µM and 0.10 ± 0.03 µM. Malvidin exhibited lower cytotoxicity (CC<sub>50</sub>: 2920.31 ± 80.29 µM) than AmpB (1.06 ± 0.12 µM) and a favorable selectivity index. It reduced infection rates by 35.75% in <i>L. amazonensis</i>-infected macrophages. The in silico analysis revealed strong binding between malvidin and <i>Leishmania</i> arginase, with the residues HIS139 and PRO258 playing key roles. Gene expression analysis indicated malvidin’s modulation of oxidative stress and DNA repair pathways, involving genes like GLO1 and APEX1. These findings suggest malvidin’s potential as a safe, natural antileishmanial compound, warranting further in vivo studies to confirm its therapeutic efficacy and pharmacokinetics in animal models. |
| format | Article |
| id | doaj-art-a645a69b08dc46258dcef158d4db10b1 |
| institution | Kabale University |
| issn | 1420-3049 |
| language | English |
| publishDate | 2025-01-01 |
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| spelling | doaj-art-a645a69b08dc46258dcef158d4db10b12025-01-10T13:19:06ZengMDPI AGMolecules1420-30492025-01-0130117310.3390/molecules30010173Exploring the Potential of Malvidin and Echiodinin as Probable Antileishmanial Agents Through In Silico Analysis and In Vitro EfficacyLuis Daniel Goyzueta-Mamani0Daniela Pagliara Lage1Haruna Luz Barazorda-Ccahuana2Margot Paco-Chipana3Mayron Antonio Candia-Puma4Gonzalo Davila-Del-Carpio5Alexsandro Sobreira Galdino6Ricardo Andrez Machado-de-Avila7Rodolfo Cordeiro Giunchetti8Edward L. D’Antonio9Eduardo Antonio Ferraz Coelho10Miguel Angel Chávez-Fumagalli11Computational Biology and Chemistry Research Group, Vicerrectorado de Investigación, Universidad Católica de Santa María, Arequipa 04000, PeruPrograma de Pós-Graduação em Ciências da Saúde: Infectologia e Medicina Tropical, Faculdade de Medicina, Universidade Federal de Minas Gerais, Belo Horizonte 31270-901, BrazilComputational Biology and Chemistry Research Group, Vicerrectorado de Investigación, Universidad Católica de Santa María, Arequipa 04000, PeruComputational Biology and Chemistry Research Group, Vicerrectorado de Investigación, Universidad Católica de Santa María, Arequipa 04000, PeruComputational Biology and Chemistry Research Group, Vicerrectorado de Investigación, Universidad Católica de Santa María, Arequipa 04000, PeruFacultad de Ciencias Farmacéuticas, Bioquímicas y Biotecnológicas, Universidad Católica de Santa María, Arequipa 04000, PeruLaboratório de Biotecnologia de Microrganismos, Universidade Federal São João Del-Rei, Divinópolis 35501-296, BrazilPrograma de Pós-Graduação em Ciências da Saúde, Universidade do Extremo Sul Catarinense, Criciúma 88806-000, BrazilLaboratório de Biologia das Interações Celulares, Instituto de Ciências Biológicas, Universidade Federal de Minas Gerais, Belo Horizonte 31270-901, BrazilDepartment of Natural Sciences, University of South Carolina Beaufort, 1 University Boulevard, Bluffton, SC 29909, USAPrograma de Pós-Graduação em Ciências da Saúde: Infectologia e Medicina Tropical, Faculdade de Medicina, Universidade Federal de Minas Gerais, Belo Horizonte 31270-901, BrazilComputational Biology and Chemistry Research Group, Vicerrectorado de Investigación, Universidad Católica de Santa María, Arequipa 04000, PeruLeishmaniasis, a neglected tropical disease caused by <i>Leishmania</i> species, presents serious public health challenges due to limited treatment options, toxicity, high costs, and drug resistance. In this study, the in vitro potential of malvidin and echioidinin is examined as antileishmanial agents against <i>L. amazonensis</i>, <i>L. braziliensis</i>, and <i>L. infantum</i>, comparing their effects to amphotericin B (AmpB), a standard drug. Malvidin demonstrated greater potency than echioidinin across all parasite stages and species. Against <i>L. amazonensis</i>, malvidin’s IC<sub>50</sub> values were 197.71 ± 17.20 µM (stationary amastigotes) and 258.07 ± 17 µM (axenic amastigotes), compared to echioidinin’s 272.99 ± 29.90 μM and 335.96 ± 19.35 μM. AmpB was more potent, with IC<sub>50</sub> values of 0.06 ± 0.01 µM and 0.10 ± 0.03 µM. Malvidin exhibited lower cytotoxicity (CC<sub>50</sub>: 2920.31 ± 80.29 µM) than AmpB (1.06 ± 0.12 µM) and a favorable selectivity index. It reduced infection rates by 35.75% in <i>L. amazonensis</i>-infected macrophages. The in silico analysis revealed strong binding between malvidin and <i>Leishmania</i> arginase, with the residues HIS139 and PRO258 playing key roles. Gene expression analysis indicated malvidin’s modulation of oxidative stress and DNA repair pathways, involving genes like GLO1 and APEX1. These findings suggest malvidin’s potential as a safe, natural antileishmanial compound, warranting further in vivo studies to confirm its therapeutic efficacy and pharmacokinetics in animal models.https://www.mdpi.com/1420-3049/30/1/173leishmaniasisantileishmanial activitymalvidinechioidinincytotoxicityarginase inhibition |
| spellingShingle | Luis Daniel Goyzueta-Mamani Daniela Pagliara Lage Haruna Luz Barazorda-Ccahuana Margot Paco-Chipana Mayron Antonio Candia-Puma Gonzalo Davila-Del-Carpio Alexsandro Sobreira Galdino Ricardo Andrez Machado-de-Avila Rodolfo Cordeiro Giunchetti Edward L. D’Antonio Eduardo Antonio Ferraz Coelho Miguel Angel Chávez-Fumagalli Exploring the Potential of Malvidin and Echiodinin as Probable Antileishmanial Agents Through In Silico Analysis and In Vitro Efficacy Molecules leishmaniasis antileishmanial activity malvidin echioidinin cytotoxicity arginase inhibition |
| title | Exploring the Potential of Malvidin and Echiodinin as Probable Antileishmanial Agents Through In Silico Analysis and In Vitro Efficacy |
| title_full | Exploring the Potential of Malvidin and Echiodinin as Probable Antileishmanial Agents Through In Silico Analysis and In Vitro Efficacy |
| title_fullStr | Exploring the Potential of Malvidin and Echiodinin as Probable Antileishmanial Agents Through In Silico Analysis and In Vitro Efficacy |
| title_full_unstemmed | Exploring the Potential of Malvidin and Echiodinin as Probable Antileishmanial Agents Through In Silico Analysis and In Vitro Efficacy |
| title_short | Exploring the Potential of Malvidin and Echiodinin as Probable Antileishmanial Agents Through In Silico Analysis and In Vitro Efficacy |
| title_sort | exploring the potential of malvidin and echiodinin as probable antileishmanial agents through in silico analysis and in vitro efficacy |
| topic | leishmaniasis antileishmanial activity malvidin echioidinin cytotoxicity arginase inhibition |
| url | https://www.mdpi.com/1420-3049/30/1/173 |
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