Inhibitory effects of saffron compounds on multiple sclerosis: Molecular docking and dynamic, enhancing properties with gold nanoparticles and evaluating antioxidant, antibacterial, cytotoxicity

The unique properties of nanoparticles, such as their small size and the ability to cross the blood-brain barrier, make them well-suited for targeted drug delivery to the central nervous system. Ongoing research is dedicated to developing innovative nanoparticle-based therapies for a neurological di...

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Main Authors: Shaghayegh Mohammadi, Hamed Farjam, Sharieh Hosseini, Kambiz Larijani
Format: Article
Language:English
Published: Elsevier 2025-02-01
Series:Heliyon
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Online Access:http://www.sciencedirect.com/science/article/pii/S2405844025010746
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author Shaghayegh Mohammadi
Hamed Farjam
Sharieh Hosseini
Kambiz Larijani
author_facet Shaghayegh Mohammadi
Hamed Farjam
Sharieh Hosseini
Kambiz Larijani
author_sort Shaghayegh Mohammadi
collection DOAJ
description The unique properties of nanoparticles, such as their small size and the ability to cross the blood-brain barrier, make them well-suited for targeted drug delivery to the central nervous system. Ongoing research is dedicated to developing innovative nanoparticle-based therapies for a neurological disorder; multiple sclerosis (MS). The study confirmed green synthesis as the optimal method for producing environmentally friendly compounds. The nanoparticles were characterized by Fourier transform infrared spectroscopy (FT-IR), X-ray powder diffraction (XRD), and transmission electron microscopy (TEM). To evaluate the antioxidant properties, we employed the 2,2-diphenyl-1-picrylhydrazyl (DPPH) method, while conducting a comprehensive examination of antibacterial activity against both Gram-negative (E. coli) and Gram-positive bacteria (S. aureus). Moreover, we performed a thorough assessment of cellular toxicity using saffron extracts and nanoparticles on C6 and SH-SY5Y cells. We employed molecular docking computational methods to investigate the potential inhibitory effects of natural compounds derived from saffron on Multiple Sclerosis. The results of biological activities and computational modeling show that gold nanoparticles improve the performance of plant compounds and also these compounds can be involved in inhibiting proteins responsible for multiple sclerosis.
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spelling doaj-art-4597270e66464b2cbcf02ea9929856bd2025-08-20T02:14:37ZengElsevierHeliyon2405-84402025-02-01114e4269310.1016/j.heliyon.2025.e42693Inhibitory effects of saffron compounds on multiple sclerosis: Molecular docking and dynamic, enhancing properties with gold nanoparticles and evaluating antioxidant, antibacterial, cytotoxicityShaghayegh Mohammadi0Hamed Farjam1Sharieh Hosseini2Kambiz Larijani3Department of Chemistry, Science and Research Branch, Islamic Azad University, Tehran, IranDepartment of Chemistry, Science and Research Branch, Islamic Azad University, Tehran, IranDepartment of Chemistry, Faculty of Pharmaceutical Chemistry, Tehran Medical Sciences, Islamic Azad University, Tehran, Iran; Corresponding author.Department of Chemistry, Science and Research Branch, Islamic Azad University, Tehran, IranThe unique properties of nanoparticles, such as their small size and the ability to cross the blood-brain barrier, make them well-suited for targeted drug delivery to the central nervous system. Ongoing research is dedicated to developing innovative nanoparticle-based therapies for a neurological disorder; multiple sclerosis (MS). The study confirmed green synthesis as the optimal method for producing environmentally friendly compounds. The nanoparticles were characterized by Fourier transform infrared spectroscopy (FT-IR), X-ray powder diffraction (XRD), and transmission electron microscopy (TEM). To evaluate the antioxidant properties, we employed the 2,2-diphenyl-1-picrylhydrazyl (DPPH) method, while conducting a comprehensive examination of antibacterial activity against both Gram-negative (E. coli) and Gram-positive bacteria (S. aureus). Moreover, we performed a thorough assessment of cellular toxicity using saffron extracts and nanoparticles on C6 and SH-SY5Y cells. We employed molecular docking computational methods to investigate the potential inhibitory effects of natural compounds derived from saffron on Multiple Sclerosis. The results of biological activities and computational modeling show that gold nanoparticles improve the performance of plant compounds and also these compounds can be involved in inhibiting proteins responsible for multiple sclerosis.http://www.sciencedirect.com/science/article/pii/S2405844025010746SaffronGold nanoparticleMultiple sclerosisMolecular dockingMTT assayAntibacterial
spellingShingle Shaghayegh Mohammadi
Hamed Farjam
Sharieh Hosseini
Kambiz Larijani
Inhibitory effects of saffron compounds on multiple sclerosis: Molecular docking and dynamic, enhancing properties with gold nanoparticles and evaluating antioxidant, antibacterial, cytotoxicity
Heliyon
Saffron
Gold nanoparticle
Multiple sclerosis
Molecular docking
MTT assay
Antibacterial
title Inhibitory effects of saffron compounds on multiple sclerosis: Molecular docking and dynamic, enhancing properties with gold nanoparticles and evaluating antioxidant, antibacterial, cytotoxicity
title_full Inhibitory effects of saffron compounds on multiple sclerosis: Molecular docking and dynamic, enhancing properties with gold nanoparticles and evaluating antioxidant, antibacterial, cytotoxicity
title_fullStr Inhibitory effects of saffron compounds on multiple sclerosis: Molecular docking and dynamic, enhancing properties with gold nanoparticles and evaluating antioxidant, antibacterial, cytotoxicity
title_full_unstemmed Inhibitory effects of saffron compounds on multiple sclerosis: Molecular docking and dynamic, enhancing properties with gold nanoparticles and evaluating antioxidant, antibacterial, cytotoxicity
title_short Inhibitory effects of saffron compounds on multiple sclerosis: Molecular docking and dynamic, enhancing properties with gold nanoparticles and evaluating antioxidant, antibacterial, cytotoxicity
title_sort inhibitory effects of saffron compounds on multiple sclerosis molecular docking and dynamic enhancing properties with gold nanoparticles and evaluating antioxidant antibacterial cytotoxicity
topic Saffron
Gold nanoparticle
Multiple sclerosis
Molecular docking
MTT assay
Antibacterial
url http://www.sciencedirect.com/science/article/pii/S2405844025010746
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AT hamedfarjam inhibitoryeffectsofsaffroncompoundsonmultiplesclerosismoleculardockinganddynamicenhancingpropertieswithgoldnanoparticlesandevaluatingantioxidantantibacterialcytotoxicity
AT shariehhosseini inhibitoryeffectsofsaffroncompoundsonmultiplesclerosismoleculardockinganddynamicenhancingpropertieswithgoldnanoparticlesandevaluatingantioxidantantibacterialcytotoxicity
AT kambizlarijani inhibitoryeffectsofsaffroncompoundsonmultiplesclerosismoleculardockinganddynamicenhancingpropertieswithgoldnanoparticlesandevaluatingantioxidantantibacterialcytotoxicity