| Title : Toward Accurate pH-Dependent Binding Constant Predictions Using Molecular Docking and Constant-pH MD Calculations - Yousef_2025_J.Chem.Theory.Comput__ |
| Author(s) : Yousef MJ , Oliveira NFB , Vitorino JNM , Reis P , Draczkowski P , Maj M , Jozwiak K , Machuqueiro M |
| Ref : J Chem Theory Comput , : , 2025 |
| Abstract : |
| PubMedSearch : Yousef_2025_J.Chem.Theory.Comput__ |
| PubMedID: 39979266 |
| Title : Glucosylpolyphenols as Inhibitors of Abeta-Induced Fyn Kinase Activation and Tau Phosphorylation: Synthesis, Membrane Permeability, and Exploratory Target Assessment within the Scope of Type 2 Diabetes and Alzheimer's Disease - de Matos_2020_J.Med.Chem_63_11663 |
| Author(s) : de Matos AM , Blazquez-Sanchez MT , Bento-Oliveira A , de Almeida RFM , Nunes R , Lopes PEM , Machuqueiro M , Cristovao JS , Gomes CM , Souza CS , El Idrissi IG , Colabufo NA , Diniz A , Marcelo F , Oliveira MC , Lopez O , Fernandez-Bolanos JG , Datwyler P , Ernst B , Ning K , Garwood C , Chen B , Rauter AP |
| Ref : Journal of Medicinal Chemistry , 63 :11663 , 2020 |
| Abstract : |
| PubMedSearch : de Matos_2020_J.Med.Chem_63_11663 |
| PubMedID: 32959649 |
| Title : Bioactivities of Centaurium erythraea (Gentianaceae) Decoctions: Antioxidant Activity, Enzyme Inhibition and Docking Studies - Guedes_2019_Molecules_24_ |
| Author(s) : Guedes L , Reis P , Machuqueiro M , Ressaissi A , Pacheco R , Serralheiro ML |
| Ref : Molecules , 24 : , 2019 |
| Abstract : |
| PubMedSearch : Guedes_2019_Molecules_24_ |
| PubMedID: 31652501 |
| Title : Bioactivities of decoctions from Plectranthus species related to their traditional use on the treatment of digestive problems and alcohol intoxication - Brito_2018_J.Ethnopharmacol_220_147 |
| Author(s) : Brito E , Gomes E , Fale PL , Borges C , Pacheco R , Teixeira V , Machuqueiro M , Ascensao L , Serralheiro MLM |
| Ref : J Ethnopharmacol , 220 :147 , 2018 |
| Abstract : |
| PubMedSearch : Brito_2018_J.Ethnopharmacol_220_147 |
| PubMedID: 29626671 |