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<p>Acne is a complex condition resulting from the dysfunction of sebaceous glands, which leads to excess sebum creation and follicular keratinization of the pilosebaceous ducts. It has a high prevalence worldwide. This study is designed to synthesize Magnesium–Copper as a nanocomposite (CuO@MgONPs) through a laser ablation technique, focusing on their improved optical, structural, and morphological characteristics, as well as assessing their antibacterial efficacy against Acne vulgaris. The synthesized nanocomposites of Copper Oxide (CuO) and Magnesium Oxide (MgO) were characterized using various techniques, including Transmission Electron Microscopy (TEM), X-ray Diffraction (XRD), Scanning Electron Microscopy (SEM), and Ultraviolet–Visible spectroscopy (UV–Vis). Then study antibacterial, antioxidant efficacy, and in-silico. TEM revealed predominantly spherical nanoparticles ranging from 10 to 40&#xa0;nm in size. XRD analysis showed distinct peaks corresponding to the crystalline phases, with a calculated crystallite size of approximately 14&#xa0;nm. SEM exhibited a homogeneous distribution with negligible agglomeration. UV–Vis showed effective light absorption in the UV area, signifying semiconductor conduct. These results confirm the promising structural and optical properties of CuO@MgO nanocomposites for potential dermatological applications. The antibacterial results demonstrated that the CuO@MgONPs was more effective than either CuONPs or MgONPs alone, with inhibition zones measuring 27.00 ± 1.0&#xa0;mm against <i>Cutibacterium acnes (C. acnes</i>) compared to 13.70 ± 0.6&#xa0;mm for CuONPs and 18.30 ± 0.6&#xa0;mm for MgONPs. This study analyzes the genomic material of (<i>C. acnes</i>) strain HL110PA3 due to its specific role in causing acne vulgaris (H01445). The HylB gene was most significant that encodes to Hyaluronate lyase B enzyme; this enzyme degrades hyaluronic acid (HA) in the skin, facilitating tissue invasion by the bacteria. This bacterium has two types of protein with PDB ID: 8FNX and PDB ID: 8G0O. This study focused on the crystal structure of Y281F mutant of Hyaluronate lyase B (PDB ID:8G0O), due to the change in their structure at position 281 when Tyr changed to Phe at GAG_Lyase (cdd: cd01083) predicted domain sites from 39 to 744 amino acids, this region interacts with the ligand form of CuONPs, MgONPs, and CuO@MgONPs. Evaluate the binding affinities of CuONPs, MgONPs, and CuO@MgONPs against C. acnes protein (PDB: 8G0O) using docking simulations. MgO exhibited the highest binding efficiency (− 11.26&#xa0;kcal/mol, Ki: 5.60&#xa0;nm), followed by CuO@MgONPs and CuONPs.</p>

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Sustainable Nanotechnology in Dermatology Using CuO@MgO Nanocomposites as Promising Anti-Acne Agents via In-Vitro and In Silico Prediction

  • 期刊论文

  • 发表日期：

    2026年4月16日

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  • Azhar Jabbar Khalaf Al-Subaihawi,
  • Kareem. H. Jawad,
  • Waleed K. Abdulkadhim,
  • Ali Kareem Sarbout,
  • Suresh Ghotekar,
  • Majid S. Jabir,
  • Raid A. Ismail,
  • Asmiet Ramizy,
  • M. H. Eisa,
  • Ethar Yahya Salih,
  • Nasir A. Ibrahim,
  • Ashraf A. Qurtam

摘要

Acne is a complex condition resulting from the dysfunction of sebaceous glands, which leads to excess sebum creation and follicular keratinization of the pilosebaceous ducts. It has a high prevalence worldwide. This study is designed to synthesize Magnesium–Copper as a nanocomposite (CuO@MgONPs) through a laser ablation technique, focusing on their improved optical, structural, and morphological characteristics, as well as assessing their antibacterial efficacy against Acne vulgaris. The synthesized nanocomposites of Copper Oxide (CuO) and Magnesium Oxide (MgO) were characterized using various techniques, including Transmission Electron Microscopy (TEM), X-ray Diffraction (XRD), Scanning Electron Microscopy (SEM), and Ultraviolet–Visible spectroscopy (UV–Vis). Then study antibacterial, antioxidant efficacy, and in-silico. TEM revealed predominantly spherical nanoparticles ranging from 10 to 40 nm in size. XRD analysis showed distinct peaks corresponding to the crystalline phases, with a calculated crystallite size of approximately 14 nm. SEM exhibited a homogeneous distribution with negligible agglomeration. UV–Vis showed effective light absorption in the UV area, signifying semiconductor conduct. These results confirm the promising structural and optical properties of CuO@MgO nanocomposites for potential dermatological applications. The antibacterial results demonstrated that the CuO@MgONPs was more effective than either CuONPs or MgONPs alone, with inhibition zones measuring 27.00 ± 1.0 mm against Cutibacterium acnes (C. acnes) compared to 13.70 ± 0.6 mm for CuONPs and 18.30 ± 0.6 mm for MgONPs. This study analyzes the genomic material of (C. acnes) strain HL110PA3 due to its specific role in causing acne vulgaris (H01445). The HylB gene was most significant that encodes to Hyaluronate lyase B enzyme; this enzyme degrades hyaluronic acid (HA) in the skin, facilitating tissue invasion by the bacteria. This bacterium has two types of protein with PDB ID: 8FNX and PDB ID: 8G0O. This study focused on the crystal structure of Y281F mutant of Hyaluronate lyase B (PDB ID:8G0O), due to the change in their structure at position 281 when Tyr changed to Phe at GAG_Lyase (cdd: cd01083) predicted domain sites from 39 to 744 amino acids, this region interacts with the ligand form of CuONPs, MgONPs, and CuO@MgONPs. Evaluate the binding affinities of CuONPs, MgONPs, and CuO@MgONPs against C. acnes protein (PDB: 8G0O) using docking simulations. MgO exhibited the highest binding efficiency (− 11.26 kcal/mol, Ki: 5.60 nm), followed by CuO@MgONPs and CuONPs.