In silico design and mechanistic study of niosome-encapsulated curcumin against multidrug-resistant Staphylococcus aureus biofilms
Curcumin, an important natural component of turmeric, has been known for a long time for its antimicrobial properties. This study aimed to investigate the anti-biofilm action of the niosome-encapsulated curcumin and explore the involved anti-biofilm mechanism. In silico investigations of ADME-Tox (a...
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| Format: | Article |
| Language: | English |
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Frontiers Media S.A.
2023-11-01
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| Series: | Frontiers in Microbiology |
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| Online Access: | https://www.frontiersin.org/articles/10.3389/fmicb.2023.1277533/full |
| _version_ | 1797447883852611584 |
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| author | Mohammad Khaleghian Hamidreza Sahrayi Yousef Hafezi Mahshad Mirshafeeyan Zahra Salehi Moghaddam Bahareh Farasati Far Hassan Noorbazargan Amir Mirzaie Qun Ren |
| author_facet | Mohammad Khaleghian Hamidreza Sahrayi Yousef Hafezi Mahshad Mirshafeeyan Zahra Salehi Moghaddam Bahareh Farasati Far Hassan Noorbazargan Amir Mirzaie Qun Ren |
| author_sort | Mohammad Khaleghian |
| collection | DOAJ |
| description | Curcumin, an important natural component of turmeric, has been known for a long time for its antimicrobial properties. This study aimed to investigate the anti-biofilm action of the niosome-encapsulated curcumin and explore the involved anti-biofilm mechanism. In silico investigations of ADME-Tox (absorption, distribution, metabolism, excretion, and toxicity) were first performed to predict the suitability of curcumin for pharmaceutical application. Curcumin showed low toxicity but at the same time, low solubility and low stability, which, in turn, might reduce its antimicrobial activity. To overcome these intrinsic limitations, curcumin was encapsulated using a biocompatible niosome system, and an encapsulation efficiency of 97% was achieved. The synthesized curcumin-containing niosomes had a spherical morphology with an average diameter of 178 nm. The niosomal curcumin was capable of reducing multi-drug resistant (MDR) Staphylococcus aureus biofilm 2–4-fold compared with the free curcumin. The encapsulated curcumin also demonstrated no significant cytotoxicity on the human foreskin fibroblasts. To understand the interaction between curcumin and S. aureus biofilm, several biofilm-related genes were analyzed for their expression. N-acetylglucosaminyl transferase (IcaD), a protein involved in the production of polysaccharide intercellular adhesion and known to play a function in biofilm development, was found to be downregulated by niosomal curcumin and showed high binding affinity (-8.3 kcal/mol) with curcumin based on molecular docking analysis. Our study suggests that the niosome-encapsulated curcumin is a promising approach for the treatment of MDR S. aureus biofilm and can be extended to biofilms caused by other pathogens. |
| first_indexed | 2024-03-09T14:02:25Z |
| format | Article |
| id | doaj.art-e6075f7701c445a7b5959e802b6f9c8b |
| institution | Directory Open Access Journal |
| issn | 1664-302X |
| language | English |
| last_indexed | 2024-03-09T14:02:25Z |
| publishDate | 2023-11-01 |
| publisher | Frontiers Media S.A. |
| record_format | Article |
| series | Frontiers in Microbiology |
| spelling | doaj.art-e6075f7701c445a7b5959e802b6f9c8b2023-11-30T07:31:30ZengFrontiers Media S.A.Frontiers in Microbiology1664-302X2023-11-011410.3389/fmicb.2023.12775331277533In silico design and mechanistic study of niosome-encapsulated curcumin against multidrug-resistant Staphylococcus aureus biofilmsMohammad Khaleghian0Hamidreza Sahrayi1Yousef Hafezi2Mahshad Mirshafeeyan3Zahra Salehi Moghaddam4Bahareh Farasati Far5Hassan Noorbazargan6Amir Mirzaie7Qun Ren8Department of Chemistry, Payame Noor University, Tehran, IranDepartment of Chemical and Petrochemical Engineering, Sharif University of Technology, Tehran, IranSchool of Chemical Engineering, College of Engineering, University of Tehran, Tehran, IranDepartment of Chemical and Petrochemical Engineering, Sharif University of Technology, Tehran, IranDepartment of Microbial Biotechnology, School of Biology, College of Science, University of Tehran, Tehran, IranDepartment of Chemistry, Iran University of Science and Technology, Tehran, IranDepartment of Biotechnology, School of Advanced Technologies in Medicine, Shahid Beheshti University of Medical Sciences, Tehran, IranDepartment of Biology, Parand Branch, Islamic Azad University, Shahr-e Jadid-e Parand, IranLaboratory for Biointerfaces, Empa, Swiss Federal Laboratories for Materials Science and Technology, St. Gallen, SwitzerlandCurcumin, an important natural component of turmeric, has been known for a long time for its antimicrobial properties. This study aimed to investigate the anti-biofilm action of the niosome-encapsulated curcumin and explore the involved anti-biofilm mechanism. In silico investigations of ADME-Tox (absorption, distribution, metabolism, excretion, and toxicity) were first performed to predict the suitability of curcumin for pharmaceutical application. Curcumin showed low toxicity but at the same time, low solubility and low stability, which, in turn, might reduce its antimicrobial activity. To overcome these intrinsic limitations, curcumin was encapsulated using a biocompatible niosome system, and an encapsulation efficiency of 97% was achieved. The synthesized curcumin-containing niosomes had a spherical morphology with an average diameter of 178 nm. The niosomal curcumin was capable of reducing multi-drug resistant (MDR) Staphylococcus aureus biofilm 2–4-fold compared with the free curcumin. The encapsulated curcumin also demonstrated no significant cytotoxicity on the human foreskin fibroblasts. To understand the interaction between curcumin and S. aureus biofilm, several biofilm-related genes were analyzed for their expression. N-acetylglucosaminyl transferase (IcaD), a protein involved in the production of polysaccharide intercellular adhesion and known to play a function in biofilm development, was found to be downregulated by niosomal curcumin and showed high binding affinity (-8.3 kcal/mol) with curcumin based on molecular docking analysis. Our study suggests that the niosome-encapsulated curcumin is a promising approach for the treatment of MDR S. aureus biofilm and can be extended to biofilms caused by other pathogens.https://www.frontiersin.org/articles/10.3389/fmicb.2023.1277533/fullanti-biofilmcurcuminniosomeStaphylococcus aureusin silico studiesADME prediction |
| spellingShingle | Mohammad Khaleghian Hamidreza Sahrayi Yousef Hafezi Mahshad Mirshafeeyan Zahra Salehi Moghaddam Bahareh Farasati Far Hassan Noorbazargan Amir Mirzaie Qun Ren In silico design and mechanistic study of niosome-encapsulated curcumin against multidrug-resistant Staphylococcus aureus biofilms Frontiers in Microbiology anti-biofilm curcumin niosome Staphylococcus aureus in silico studies ADME prediction |
| title | In silico design and mechanistic study of niosome-encapsulated curcumin against multidrug-resistant Staphylococcus aureus biofilms |
| title_full | In silico design and mechanistic study of niosome-encapsulated curcumin against multidrug-resistant Staphylococcus aureus biofilms |
| title_fullStr | In silico design and mechanistic study of niosome-encapsulated curcumin against multidrug-resistant Staphylococcus aureus biofilms |
| title_full_unstemmed | In silico design and mechanistic study of niosome-encapsulated curcumin against multidrug-resistant Staphylococcus aureus biofilms |
| title_short | In silico design and mechanistic study of niosome-encapsulated curcumin against multidrug-resistant Staphylococcus aureus biofilms |
| title_sort | in silico design and mechanistic study of niosome encapsulated curcumin against multidrug resistant staphylococcus aureus biofilms |
| topic | anti-biofilm curcumin niosome Staphylococcus aureus in silico studies ADME prediction |
| url | https://www.frontiersin.org/articles/10.3389/fmicb.2023.1277533/full |
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