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All Journal PHARMACOLOGY, MEDICAL REPORTS, ORTHOPEDIC, AND ILLNESS DETAILS (COMORBID)
Magdalene, Tyona Ngodoo
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Biochemistry, Genetics & Molecular Biology Medicine & Pharmacology Neuroscience Nursing

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MOLECULAR DOCKING OF CYMBOPOGON CITRATUS EXTRACTS AS POTENCY FOR DRUG FORMULATION TARGETING FUNGAL SPECIES CAUSING ONYCHOMYCOSIS IN BENUE STATE, NIGERIA Magdalene, Tyona Ngodoo
PHARMACOLOGY, MEDICAL REPORTS, ORTHOPEDIC, AND ILLNESS DETAILS Vol. 3 No. 4 (2024): OCTOBER
Publisher : Transpublika Publisher

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.55047/comorbid.v3i4.1551

Abstract

Onychomycosis is a fungal infection of the nails, characterized by thickening, discoloration, and brittleness. It is caused by dermatophytes, non-dermatophyte molds, and yeasts and poses a significant public health challenge, particularly in tropical regions like Nigeria. Current antifungal treatments often show inconsistent efficacy, prompting the search for alternative therapies. This study explores the potential of Cymbopogon citratus (lemongrass) extracts as antifungal agents targeting key enzymes involved in fungal pathogenesis in onychomycosis in Benue State, Nigeria. Using ethical approval and rigorous laboratory protocols, fungal samples were cultured, and the Squalene Epoxidase (SQLE) gene was identified. Phytoconstituents in C. citratus extracts were analyzed via Gas Chromatography-Mass Spectrometry. Molecular docking using the Schrodinger Glide protocol predicted interactions with SQLE, a critical enzyme for fungal ergosterol biosynthesis. Dodecanoic acid-1,2,3-propane showed the highest docking score (-65.13 kcal/mol) and a molecular weight of 638 g/mol, outperforming terbinafine (-64.39 kcal/mol, 327.9 g/mol). The compounds exhibited strong binding to SQLE, suggesting a mechanism for disrupting fungal membrane synthesis. These findings emphasize the integration of computational predictions with in vitro studies in developing effective treatments for onychomycosis, addressing a significant medical need locally and globally.
Mathematical Model Transmission Dynamics of Onychomycosis with Cymbopogon Citratus Application as Control on Patients in Selected Hospitals in Benue State, Nigeria Magdalene, Tyona Ngodoo
PHARMACOLOGY, MEDICAL REPORTS, ORTHOPEDIC, AND ILLNESS DETAILS Vol. 4 No. 1 (2025): JANUARY
Publisher : Transpublika Publisher

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.55047/comorbid.v4i1.1552

Abstract

Onychomycosis, a fungal nail infection, presents significant public health challenges, including in Benue State, Nigeria. Traditional plants like Cymbopogon citratus (lemon grass) have demonstrated antifungal properties. This study develops a mathematical model to analyze onychomycosis transmission dynamics and evaluate C. citratus extracts as a potential treatment. The model uses ordinary differential equations, categorizing individuals as susceptible (S), infected (I), and recovered (R) over time. Simulations show that reducing contact with infected individuals lowers transmission rates. Consistent treatment with C. citratus increases recovery, thereby decreasing susceptibility. Numerical simulations reveal that applying C. citratus extracts using a sterilized nail polish brush over two years resulted in reduced infection. The treatment regimen involved bi-weekly application for up to two years, with periodic monitoring of nail improvement. The study highlights that isolating infected individuals, combined with treatment and environmental precautions (such as avoiding shared nail equipment and walking barefoot in contaminated areas), significantly reduces transmission. These findings suggest that early detection, isolation, and consistent treatment with C. citratus are key to managing and potentially eradicating onychomycosis in the population.
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