Konu "In silico" için listeleme
Toplam kayıt 7, listelenen: 1-7
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Computational studies with flavonoids and terpenoids as BRPF1 inhibitors: in silico biological activity prediction, molecular docking, molecular dynamics simulations, MM/PBSA calculations
(Taylor & Francis Ltd., 2022)The BRPF1 protein is encoded by the BRPF1 gene. In addition, the BRPF1 gene is known to be upregulated in leukaemia. Recent studies have shown that it is also overexpressed in hepatocellular carcinoma (HCC) as well. ... -
Development of new cyclophilin d receptor inhibitors for the treatment of multiple sclerosis
(Ankara University, 2022)Objective: In this study, it was aimed to carry out computational studies for the development of new molecules for the inhibition of the cyclophilin D (CypD) receptor, which causes the disability of mitochondrial function ... -
Diastereoselective synthesis, characterization, investigation of anticancer, antibacterial activities, in silico approaches and DNA/BSA binding affinities of novel pyrimidine-sugar derivatives
(Elsevier, 2023)Eighteen novel carbohydrate conjugates (1-9) and their tetra-O-acetyl derivatives (10-18) were synthesized in total and evaluated for their biological properties, including antimicrobial and anticancer functions, and ... -
Indole-pyridine carbonitriles: multicomponent reaction synthesis and bio-evaluation as potential hits against diabetes mellitus
(2023)Background: Diabetes mellitus is a significant health disorder; therefore, researchers should focus on discovering new drug candidates. Methods: A series of indole-pyridine carbonitrile derivatives, 1-34, was synthesized ... -
Molecular modeling strategies of cancer multidrug resistance
(Elsevier, 2021)Cancer remains a leading cause of morbidity and mortality worldwide. Hence, the increase in cancer cases observed in the elderly population, as well as in children and adolescents, makes human malignancies a prime target ... -
Multicomponent diastereoselective synthesis of tetrahydropyridines as α-amylase and α-glucosidase enzymes inhibitors
(2023)Background: Researchers seeking new drug candidates to treat diabetes mellitus have been exploring bioactive molecules found in nature, particularly tetrahydropyridines (THPs). Methods: A library of THPs (1–31) were ... -
Regioselective syntheses of 2-oxopyridine carbonitrile derivatives and evaluation for antihyperglycemic and antioxidant potential
(Elsevier, 2023)A library of 2-oxopyridine carbonitriles 1-34 was synthesized by regioselective nucleophilic substitution reactions. In the first step, a one-pot multicomponent reaction yield pyridone intermediates. The resulting pyridone ...