Konu "Docking" için Scopus İndeksli Yayınlar Koleksiyonu listeleme
Toplam kayıt 6, listelenen: 1-6
-
Determination of novel SARS-CoV-2 inhibitors by combination of machine learning and molecular modeling methods
(Bentham Science, 2023)Introduction: Within the scope of the project, this study aimed to find novel inhibitors by combining computational methods. In order to design inhibitors, it was aimed to produce molecules similar to the RdRp inhibitor ... -
Investigation of the usability of some triazole derivative compounds as drug active ingredients by ADME and molecular docking properties
(University Mohammed Premier Oujda, 2022)In this study, some important ADME parameters such as physicochemical properties, lipophilicity, water solubility, pharmacokinetics, medicinal chemistry and drug-likeness properties of ten triazole derivative compounds, ... -
Molecular docking studies and synthesis of novel bisbenzimidazole derivatives as inhibitors of alpha-glucosidase
(Pergamon-Elsevier Science Ltd, 2016)A series of bisbenzimidazole derivatives starting from o-phenylenediamine and 4-nitro-o-phenylenediamine were prepared with oxalic acid. Most of the reactions were conducted using both the microwave and conventional methods ... -
Spectroscopic, quantum mechanical studies, ligand protein interactions and photovoltaic efficiency modeling of some bioactive benzothiazolinone acetamide analogs
(Springer International Publishing Ag, 2020)In the present work, the molecules, N-(4-chlorophenyl)-2-[6-(benzoyl)-2-benzothiazolinone-3-yl]acetamide (CBBA), N-(6-methyl-2-pyridyl)-2-[6-(2-chlorobenzoyl)-2-benzothiazolinone-3-yl]acetamide (MCBA), N-(3-Chlorophenyl) ... -
Synthesis and biological evaluation of some 1,3-benzoxazol-2(3H)-one hybrid molecules as potential antioxidant and urease inhibitors
(Wiley, 2020)A new series of 1,3-benzoxazol-2(3H)-one hybrid compounds, including coumarin, isatin 1,3,4-triazole and 1,3,4-thiadiazole moieties, were synthesized and biologically evaluated for their antioxidant capacities and anti-urease ... -
Synthesis and molecular docking studies of novel triazole derivatives as antioxidant agents
(Bentham Science Publ Ltd, 2020)A series of 1,2,4-triazole and 1,2,4- thiadiazole derivatives were prepared starting from ethyl 4-(3-methyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)benzoate. Firstly, both ethyl ester groups were simultaneously transformed ...