Blar i Department of Chemistry på forfatter "Gartan, Parveen"
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Advanced Free Energy Methods in Retrospective and Prospective Drug Design: Application to Serine Proteases
Gartan, Parveen (Doctoral thesis, 2024-12-13)Beregninger av relativ fri bindingsenergi (eng. RBFE) har vokst frem som en foretrukket metode for å veilede kostbare og tidkrevende synteser og andre eksperimenter i legemiddelutvikling på grunn av metodens nærmest ... -
Investigating Polypharmacology through Targeting Known Human Neutrophil Elastase Inhibitors to Proteinase 3
Gartan, Parveen; Khorsand, Fahimeh; Mizar, Pushpak; Vahokoski, Juha; Cervantes, Luis F.; Haug, Bengt Erik; Brenk, Ruth; Brooks, Charles L.; Reuter, Nathalie (Journal article; Peer reviewed, 2024)Using a combination of multisite λ−dynamics (MSλD) together with in vitro IC50 assays, we evaluated the polypharmacological potential of a scaffold currently in clinical trials for inhibition of human neutrophil elastase ... -
A Membrane-Assisted Mechanism for the Release of Ceramide from the CERT START Domain
Moqadam, Mahmoud; Gartan, Parveen; Talandashti, Reza; Chiapparino, Antonella; Titeca, Kevin; Gavin, Anne-Claude; Reuter, Nathalie (Journal article; Peer reviewed, 2024)Ceramide transfer protein CERT is the mediator of nonvesicular transfer of ceramide from the ER to Golgi. In CERT, START is the domain responsible for the binding and transport of ceramide. A wealth of structural data has ...