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Central tunnel as an alternative allosteric site in glyceraldehyde-3-phosphate-dehydrogenase for potential use as species specific drug targets /
(Kadir Has Üniversitesi, 2020)
İlaç keşif çalışmalarında en yeni yaklaşımlardan biri proteindeki potansiyel allosterik bölgeler için ilaç tasarımıdır. Bu bölgeler enzimlerin aktif bölgelerini doğrudan hedefleyen inhibitörler yerine aktif bölge üzerine ...
Investigation of allosteric inhibition effect in pyruvate kinase by constrained molecular dynamics simulation method Piruvat kinazın allosterik olarak inhibe edilmesinin kısıtlanmış moleküler dinamik similasyon methodu kullanılarak incelenmesi
(Kadir Has Üniversitesi, 2021)
In previous studies, our research group identified species-specific allosteric sites in glycolytic enzymes from different organisms and identified candidate inhibitory molecules that strongly interact with the residues at ...
Investigation of species-specific allosteric binding sites in glycolytic enzymes via AlloSigMA and molecular dynamics simulations
(Kadir Has Üniversitesi, 2021)
In previous studies of our research group, allosteric sites have been proposed to be used as drug targets in species-specific drug design studies for phosphofructokinase (PFK), glyceraldehyde-3 phosphate dehydrogenase ...
Designing of selective and potent inhibitors against histone deacetylase enzymes (HDAC6 VE HDAC10) via in silico screening and molecular modeling techniques for the treatment of cancer
(Kadir Has Üniversitesi, 2021)
HDACs are the class of enzymes that are involved in the process of cancer development by removing the acetyl groups from histone protein, inducing chromatin condensation and in this way regulating the expression of tumor ...
Identifying the working principles of human DNA methyltransferase 3A enzyme by computational methods
(Kadir Has Üniversitesi, 2021)
DNA metilasyonu, metilasyon deseninin sürdürülmesi ve oluşturulmasından sorumlu epigenetik mekanizmalardan biridir. DNA metiltransferaz 3 (DNMT3) enzim ailesi DNA'nın sıfırdan metilasyonunu düzenler bu nedenle de novo ...