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Structure-Activity Relationships Based on 3D-QSAR CoMFA/CoMSIA and Design of Aryloxypropanol-Amine Agonists with Selectivity for the Human β3-Adrenergic Receptor and Anti-Obesity and Anti-Diabetic Profiles.
Lorca M, Morales-Verdejo C, Vásquez-Velásquez D, Andrades-Lagos J, Campanini-Salinas J, Soto-Delgado J, Recabarren-Gajardo G, Mella J. Lorca M, et al. Among authors: mella j. Molecules. 2018 May 16;23(5):1191. doi: 10.3390/molecules23051191. Molecules. 2018. PMID: 29772697 Free PMC article.
In silico approaches to develop new phenyl-pyrimidines as glycogen synthase kinase 3 (GSK-3) inhibitors with halogen-bonding capabilities: 3D-QSAR CoMFA/CoMSIA, molecular docking and molecular dynamics studies.
Cabezas D, Mellado G, Espinoza N, Gárate JA, Morales C, Castro-Alvarez A, Matos MJ, Mellado M, Mella J. Cabezas D, et al. Among authors: mella j. J Biomol Struct Dyn. 2023;41(22):13250-13259. doi: 10.1080/07391102.2023.2172457. Epub 2023 Jan 30. J Biomol Struct Dyn. 2023. PMID: 36718094
102 results