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T338- Isoniazid-Ioaded Graphene-FA Complexes: In Silico Study with Molecular Dynamics Simulation (Laurentius Ivan Ageng Marhaendra; Prof. Dr. Muchtaridi, Ph.D; Prof. Dr.rer.nat. Yudi Rosandi, M.Si; Amirah Mohd Gazzali, Ph.D)

Tuberculosis (TB), which is caused by Mycobacterium tuberculosis (M.TB), remain a major public health concern, especially when there are emerging ...

  • CodeCallNoLokasiKetersediaan
    FFUP20250170T338Tersedia
  • Perpustakaan
    Fakultas Farmasi
    Judul Seri
    -
    No. Panggil
    T338
    Penerbit Fakultas Farmasi Universitas Padjadjaran : Jatinangor.,
    Deskripsi Fisik
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    Bahasa
    English
    ISBN/ISSN
    -
    Klasifikasi
    T338
    Tipe Isi
    -
    Tipe Media
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    Tipe Pembawa
    -
    Edisi
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    Subyek
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    Info Detil Spesifik
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    Pernyataan Tanggungjawab
  • Tuberculosis (TB), which is caused by Mycobacterium tuberculosis (M.TB), remain a major public health concern, especially when there are emerging cases of drug resistance against the first-line treatment usually utilized for tuberculosis treatment, especially with isoniazid, which is one of the antibiotic medications primarily used for TB treatment. Due to the advancements of technology, there are new ways to deliver drugs more effectively, thus enhancing their antitubercular activity. Graphene oxide (GO) is one of the nanomaterials that is promising to be used in anti-tuberculosis drug delivery due to high biocompatibility and huge surface area. However, the possibility of GO to be used as the carrier of isoniazid and targeting agents that may be incorporated with GO. This study aims to explore the possibility of isoniazid to be complexed with graphene oxide as the nanocarrier and N-hydrossucinimide folate to be used as the targeting agent, which was predicted to have activity against GAPDH of Mycobacterium tuberculosis, which is important in the internalization of both lactoferrin and transferrin into the bacterium cells. In this study, we use molecular dynamics simulation method with ReaxFF potential, which can be used in the reactive molecular dynamics, which open the possibility to model the attachment of INH and N-hydroxysuccinimide folate to the GO surface. In this research, we find that GO is strongly attached to GO surface, with the total interaction energy of -155 kcal/mol, which most of the interactions consist of hydrogen bonds. Based on these findings, we conclude that GO may be used as a nanocarrier for both isoniazid and N-hydroxysuccinimide folate.
    Keyword : Tuberculosis, isoniazid, graphene oxide, N-hydroxysuccinimide folate, molecular dynamics simulation

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