2023

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Browsing 2023 by Author "INAYAT ULLAH KHAN"

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    In silico analysis of protein inhibitors of trypanosoma evansi
    (UMT, Lhr, 2023) INAYAT ULLAH KHAN
    Trypanosoma evansi is the first pathogenic mammalian protozoan. It causes Surra disease in animals such as horses, camels and water buffaloes. It has a global selection of hosts. It belongs to the Trpanosomatidae family and there are two types of circular DNA molecule: Maxi circles and mini circles; from derived T. brucei. It is characterized by various symptoms such as weight loss, progressive anemia and weakness; swelling of the lower parts of the body; the lymph node may also be swollen; nervous symptoms such as head tilt, vertigo, blindness, hypersensitivity; miscarriage, infertility and stillbirth; chronic course with high mortality and can last up to 2 years; death can occur within 2 weeks to 2 months. Today, drugs are used to treat infections, but the animal does not fully recover. These drugs are toxic to animals and show resistance. T. evansi is a terrible protozoan for dromedaries and horses. Phytochemicals are extracted from plants to treat various diseases. Active compounds obtained from plant parts such as leaves, roots, seeds or fruits can be used to treat several diseases without harming the host. In this study, the plant families Meliaceae, Moraceae, Moringaceae, Ranunculaceae, Zingiberaceae, Fabaceae, Aceraceae, Apocynaceae, Asteraceae, Polygonaceae and Poaceae show that they all have the highest medicinal properties. The main goal is to block the pathogen's protein that helps it to invade the host. Various bio-informatics tools such as PDB, Dr. Duke, UCSF Chimera 1.16, PUB Chem, NCBI, Discovery Studio Visualizer, Protein Molecular Weight Server, Gaussian View 09. The study uses zinc pharmer, zinc 15. In addition, the potential of phytochemicals to be used as medicines is tested by testing their various properties such as blood-brain barrier (BBB), GI absorption, solubility, Lipinski's rule of 5, toxicity, carcinogenicity and mutagenicity. The docking process revealed the interactions between the proteins and the ligands of the causative agent. DSV is used to visualize the interaction. DFT confirmed the energy gaps and confirmed the results. In comparison, zinc farmer is an online server that has less energy and is used instead of phytochemicals. After screening more than 3000 phytochemicals and selecting 224, LICOISOFLAVANONE and LUTEOLIN-7-GENTIOBIOSIDE are found to be the best phytochemicals to prevent Trypanosoma evansi infection