Insight parameter drug design for human β-tryptase inhibition integrated molecular docking, QSAR, molecular dynamics simulation, and pharmacophore modelling studies of α-keto-[1,2,4]-oxadiazoles

• Main Authors: Yu, Chai Xin, Tan, Jian Wei, Rullah, Kamal, Imran, Syahrul, Tham, Chau Ling
• Format: Article
• Published: Taylor and Francis Group 2023
• Online Access: http://psasir.upm.edu.my/id/eprint/110028/; https://www.tandfonline.com/doi/full/10.1080/07391102.2023.2171131

Dengue hemorrhagic fever (DHF) is severe dengue with a hallmark of vascular leakage. β-tryptase has been found to promote vascular leakage in DHF patients, which could be a potential target for DHF treatment. This study aims to develop a theoretical background for designing and selecting human β-try...