Browsing by Author "Uba, Abdullahi Ibrahim"
Now showing items 1-7 of 7
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Crystallographic structure versus homology model: a case study of molecular dynamics simulation of human and zebrafish histone deacetylase 10
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Publisher and Date:(Taylor & Francıs Inc, 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 of crystallographic structure of human HDAC10 (hHDAC10) hinders structure-based drug design effort. Previously, we reported the homology modeled structure of human HDAC10 built using the crystallographic structure of Danio rerio (zebrafish) HDAC10 (zHDAC10) (Protein Data Bank ...
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Exploration of the binding pocket of histone deacetylases: the design of potent and isoform-selective inhibitors
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Publisher and Date:(Tübitak Scientific & Technical Research Council Turkey, 2017)Histone deacetylases (HDACs) are enzymes that act on histone proteins to remove the acetyl group and thereby regulate the chromatin state. HDACs act not only on histone protein but also nonhistone proteins that are key players in cellular processes such as the cell cycle, signal transduction, apoptosis, and more. "Classical" HDACs have been shown to be promising targets for anticancer drug design and development. However, the selectivity of HDAC inhibitors for HDAC isoforms remains the motivation ...
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Homology modeling of human histone deacetylase 10 and design of potential selective inhibitors
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Publisher and Date:(Taylor & Francis Inc, 2019)Histone deacetylases (HDACs) are implicated in the pathology of various cancers, and their pharmacological blockade has proven to be promising in reversing the malignant phenotypes. However, lack of crystal structures of some of the human HDAC isoforms (e.g., HDAC10) hinders the design of the isoform-selective inhibitor. Here, the recently solved X-ray crystal structure of Danio rerio (zebrafish) HDAC10 (Protein Data Bank (PDB) ID; 5TD7, released on 24 May 2017) was retrieved from the PDB and used ...
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Identification of potential inhibitors of human methionine aminopeptidase (type II) for cancer therapy: Structure-based virtual screening, ADMET prediction and molecular dynamics studies
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Publisher and Date:(Elsevier, 2020)Methionine Aminopeptidases MetAPs are divalent-cofactor dependent enzymes that are responsible for the cleavage of the initiator Methionine from the nascent polypeptides. MetAPs are classified into two isoforms: namely, MetAP1 and MetAP2. Several studies have revealed that MetAP2 is upregulated in various cancers, and its inhibition has shown to suppress abnormal or excessive blood vessel formation and tumor growth in model organisms. Clinical studies show that the natural product fumagillin, and ...
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Pharmacophore-based virtual screening for identification of potential selective inhibitors of human histone deacetylase 6
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Publisher and Date:(Elsevier Sci Ltd, 2018)Histone deacetylase (HDAC) 6 plays a role in oncogenic transformation and cancer metastasis via tubulin deacetylation, making it a critical target for anticancer drug design. However, lack of selectivity shown by many of the current HDAC6 inhibitors in clinical use and trials prompts the continuous search for selective inhibitors. Here, 10 pharmacophore hypotheses were developed based on the 3D common features of training set of 20 HDAC inhibitors in clinical use and trials. The hypotheses were ...
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Status of malondialdehyde, catalase and superoxide dismutase levels/activities in schoolchildren with iron deficiency and iron-deficiency anemia of Kashere and its environs in Gombe State, Nigeria
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Publisher and Date:(Elsevier, 2019)Background: Iron-deficiency anemia (IDA) or iron deficiency (ID) is by far the most common form of disorder affecting the cognitive development, physical growth and school performance of children in developing countries including Nigeria. Objectives: In the present study, we aimed to examine whether IDA or ID, or both are associated with oxidative stress or otherwise by assessing the perturbations in oxidative stress markers including malondialdehyde (MDA), catalase (CAT) and superoxide dismutase ...
