2022
DOI: 10.1101/2022.07.17.500327
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Insight parameter drug design for human beta-tryptase inhibition integrated molecular docking, QSAR, molecular dynamics simulation, and pharmacophore modelling studies of alpha-keto-[1,2,4]-oxadiazoles

Abstract: Dengue hemorrhagic fever (DHF) is life-threatening severe dengue with a hallmark of vascular leakage. A mast cell protease, beta-tryptase, has been found to promote vascular leakage in DHF patients, which could be a potential target for the treatment of DHF. This study aims to develop a theoretical background for the design and selection of beta-tryptase inhibitors through these approaches: two-dimensional quantitative structure-activity relationships (2D-QSAR) study, molecular docking analysis, molecular dyna… Show more

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