Design, synthesis, evaluation, pharmacophore modeling, and 3D‐QSAR of lappaconitine analogs as potential analgesic agents
Sign Up to like & getrecommendations! Published in 2024 at "Archiv der Pharmazie"
DOI: 10.1002/ardp.202400528
Abstract: Alleviating pain is crucial for patients with various diseases. This study aimed to enhance the analgesic properties of lappaconitine, a natural drug, through structural modifications. Specifically, carbamate analgesic active fragments were innovatively introduced at multiple… read more here.
Keywords: lappaconitine analogs; modeling qsar; synthesis evaluation; pharmacophore modeling ... See more keywords
Combined Pharmacophore Modeling, 3D-QSAR, Molecular Docking and Molecular Dynamics Study on Indolyl-aryl-sulfone Derivatives as New HIV1 Inhibitors.
Sign Up to like & getrecommendations! Published in 2022 at "Acta chimica Slovenica"
DOI: 10.17344/acsi.2022.7427
Abstract: The present study deals with the in silico of 45 indolyl-aryl-sulfones known as anti-HIV1. The data were collected from recent previously reported inhibitors and divided into a sub-set of 33 compounds as the training set… read more here.
Keywords: combined pharmacophore; indolyl aryl; molecular dynamics; pharmacophore modeling ... See more keywords