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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 

Weako, Jackson; Uba, Abdullahi Ibrahim; Keskin, Özlem; Gürsoy, Attila; Yelekçi, Kemal (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, ...
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Homology modeling of human histone deacetylase 10 and design of potential selective inhibitors 

Uba, Abdullahi Ibrahim; Yelekçi, Kemal (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 ...
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Pharmacophore-based virtual screening for identification of potential selective inhibitors of human histone deacetylase 6 

Uba, Abdullahi Ibrahim; Yelekçi, Kemal (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 ...
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Carboxylic acid derivatives display potential selectivity for human histone deacetylase 6: Structure-based virtual screening molecular docking and dynamics simulation studies 

Uba, Abdullahi Ibrahim; Yelekçi, Kemal (Elsevier Science, 2018)
Human histone deacetylase 6 (HDAC6) has been shown to play a major role in oncogenic cell transformation via deacetylation of alpha-tubulin making it a viable target of anticancer drug design and development. The crystal ...

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AuthorUba, Abdullahi Ibrahim (4)Yelekçi, Kemal (3)Gürsoy, Attila (1)Keskin, Özlem (1)Weako, Jackson (1)Yelekci Kemal (1)SubjectMolecular docking (4)
Molecular dynamics simulation (4)
HDAC6-selective inhibitors (2)Structure-based virtual screening (2)3D-common feature hypotheses (1)ADMET prediction (1)Carboxylic acid derivatives (1)HDAC10-selective inhibitors (1)HDAC6 catalytic domain 2 (1)Homology modeling (1)... View MoreDate Issued2018 (2)2019 (1)2020 (1)Has File(s)
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