Expanding the Paradigm of Structure-Based Drug Design: Molecular Dynamics Simulations Support the Development of New Pyridine-Based Protein Kinase C-Targeted Agonists.

Autor: Lautala S; Drug Research Program, Division of Pharmaceutical Biosciences, University of Helsinki, P.O. Box 56 (Viikinkaari 5 E), FI-00014 Helsinki, Finland., Provenzani R; Drug Research Program, Division of Pharmaceutical Chemistry and Technology, University of Helsinki, P.O. Box 56 (Viikinkaari 5 E), FI-00014 Helsinki, Finland., Tarvainen I; Drug Research Program, Division of Pharmacology and Pharmacotherapy, University of Helsinki, P.O. Box 56 (Viikinkaari 5 E), FI-00014 Helsinki, Finland., Sirna K; Drug Research Program, Division of Pharmaceutical Chemistry and Technology, University of Helsinki, P.O. Box 56 (Viikinkaari 5 E), FI-00014 Helsinki, Finland., Karhu ST; Drug Research Program, Division of Pharmacology and Pharmacotherapy, University of Helsinki, P.O. Box 56 (Viikinkaari 5 E), FI-00014 Helsinki, Finland., Grazhdankin E; Drug Research Program, Division of Pharmaceutical Chemistry and Technology, University of Helsinki, P.O. Box 56 (Viikinkaari 5 E), FI-00014 Helsinki, Finland., Lehtinen AK; Drug Research Program, Division of Pharmaceutical Chemistry and Technology, University of Helsinki, P.O. Box 56 (Viikinkaari 5 E), FI-00014 Helsinki, Finland., Sa'd H; Drug Research Program, Division of Pharmaceutical Biosciences, University of Helsinki, P.O. Box 56 (Viikinkaari 5 E), FI-00014 Helsinki, Finland.; School of Pharmacy, The University of Jordan, Queen Rania Street, 11942 Amman, Jordan., Koivuniemi A; Drug Research Program, Division of Pharmaceutical Biosciences, University of Helsinki, P.O. Box 56 (Viikinkaari 5 E), FI-00014 Helsinki, Finland., Xhaard H; Drug Research Program, Division of Pharmaceutical Chemistry and Technology, University of Helsinki, P.O. Box 56 (Viikinkaari 5 E), FI-00014 Helsinki, Finland., Tuominen RK; Drug Research Program, Division of Pharmacology and Pharmacotherapy, University of Helsinki, P.O. Box 56 (Viikinkaari 5 E), FI-00014 Helsinki, Finland., Talman V; Drug Research Program, Division of Pharmacology and Pharmacotherapy, University of Helsinki, P.O. Box 56 (Viikinkaari 5 E), FI-00014 Helsinki, Finland., Bunker A; Drug Research Program, Division of Pharmaceutical Biosciences, University of Helsinki, P.O. Box 56 (Viikinkaari 5 E), FI-00014 Helsinki, Finland., Yli-Kauhaluoma J; Drug Research Program, Division of Pharmaceutical Chemistry and Technology, University of Helsinki, P.O. Box 56 (Viikinkaari 5 E), FI-00014 Helsinki, Finland.

Publikováno v: Journal of medicinal chemistry [J Med Chem] 2023 Apr 13; Vol. 66 (7), pp. 4588-4602. Date of Electronic Publication: 2023 Apr 03.