Browsing by Author "Uba, Abdullahi İbrahim"
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Crystallographic structure versus homology model: a case study of molecular dynamics simulation of human and zebrafish histone deacetylase 10
Uba, Abdullahi İbrahim; Yelekçi, Kemal (Taylor & Francis, 2020)Histone deacetylase (HDAC) 10 has been implicated in the pathology of various cancers and neurodegenerative disorders, making the discovery of novel inhibitors of the isoform an important endeavor. However, the unavailability ... -
Identification of potential isoform-selective histone deacetylase inhibitors for cancer therapy: a combined approach of structure-based virtual screening ADMET prediction and molecular dynamics simulation assay
Uba, Abdullahi İbrahim; Yelekçi, Kemal (Taylor & Francis Inc, 2018)Histone deacetylases (HDACs) have gained increased attention as targets for anticancer drug design and development. HDAC inhibitors have proven to be effective for reversing the malignant phenotype in HDAC-dependent cancer ... -
Potential inhibitors of methionine aminopeptidase type II identified via structure-based pharmacophore modeling
Albayati, Safana; Uba, Abdullahi İbrahim; Yelekçi, Kemal (Springer Science and Business Media Deutschland GmbH, 2021)Methionine aminopeptidase (MetAP2) is a metal-containing enzyme that removes initiator methionine from the N-terminus of a newly synthesized protein. Inhibition of the enzyme is crucial in diminishing cancer growth and ... -
Synthesis molecular modeling in vivo study and anticancer activity of 124-triazole containing hydrazide-hydrazones derived from (S)-naproxen
Han, Muhammed İhsan; Bekçi, Hatice; Uba, Abdullahi İbrahim; Yıldırım, Yeliz; Karasulu, Ercüment; Cumaoğlu, Ahmet; Karasulu, Hatice Y.; Yelekçi, Kemal; Yılmaz, Ozguer; Küçükgüzel, Şükriye Güniz (Wiley-VCH Verlag GmbH, 2019)A new series of 124-triazole containing hydrazide-hydrazones derived from (S)-naproxen (7a-m) was synthesized in this study. The structures of these compounds were characterized by spectral (Fourier-transform infrared ... -
Targeting cancer epigenetic modifiers: The design of isoform-selective histone deacetylase inhibitors
Uba, Abdullahi İbrahim (Kadir Has Üniversitesi, 2018)Epigenetic alterations are believed to be the common hallmark of human cancers. Histone deacetylase (HDAC) inhibitors have proven to be effective in cancer cases where HDACs are up-regulated. However lack of selectivity ...