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Cheminformatic approaches to hit-prioritization and target prediction of potential anti-mrsa natural productsOselusi, Samson Olaitan January 2020 (has links)
Magister Pharmaceuticae - MPharm / The growing resistance of Methicillin-Resistant Staphylococcus aureus (MRSA) to currently prescribed drugs has resulted in the failure of prevention and treatment of different infections caused by the superbug. Therefore, to keep pace with the resistance, there is a pressing need for novel antimicrobial agents, especially from non-conventional sources. Several natural products (NPs) have displayed varying in vitro activities against the pathogen but few of these natural compounds have been studied for their prospects to be potential antimicrobial drug candidates. This may be due to the high cost, tedious, and time-consuming process of conducting the important preclinical tests on these compounds. Hence, there is a need for cost-effective strategies for mining the available data on these natural compounds. This would help to get the knowledge that may guide rational prioritization of “likely to succeed” natural compounds to be developed into potential antimicrobial drug candidates.
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Pharmacological characterization and chemo-informatics analysis of compounds from leonotis leonurusOghenetega, Chioma O N January 2021 (has links)
Doctor Pharmaceuticae - DPharm / The central nervous system (CNS), consisting of the brain and the spinal cord, is responsible for
integrating sensory information and influencing most bodily functions . The CNS is protected from
toxic and pathogenic agents in the blood by permeability barrier mechanisms. These barrier
mechanisms, specifically the blood brain barrier (BBB) presents a challenge for the discovery of
CNS active drugs as it is requirement for these drugs to permeate the BBB to reach their target site
in the CNS. The conventional processes of drug design and discovery from natural products are
time consuming, tedious, expensive and have a high failure rate. It has been reported from various
studies that the use of computational modelling and simulations in drug design and discovery is less
costly and less time-consuming with a greater chance of success than the conventional processes.
The process of drug discovery and design can, therefore, be easily carried out using proven
computer models, software, and web-based tools . / 2023
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