Browsing Biyoinformatik ve Genetik Bölümü Koleksiyonu by Title
Now showing items 98-117 of 203
-
Homology modeling of human histone deacetylase 10 and design of potential selective inhibitors
(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 ... -
How an Inhibitor Bound to Subunit Interface Alters Triosephosphate Isomerase Dynamics
(Cell Press, 2015)The tunnel region at triosephosphate isomerase (TIM)'s dimer interface distant from its catalytic site is a target site for certain benzothiazole derivatives that inhibit TIM's catalytic activity in Trypanosoma cruzi the ... -
Human dopamine transporter: the first implementation of a combined in silico/in vitro approach revealing the substrate and inhibitor specificities
(Taylor & Francis Inc, 2019)Parkinson's disease (PD) is characterized by the loss of dopamine-generating neurons in the substantia nigra and corpus striatum. Current treatments alleviate PD symptoms rather than exerting neuroprotective effect on ... -
Identification of Alternative Allosteric Sites in Glycolytic Enzymes for Potential Use as Species-Specific Drug Targets
(Frontiers Media, 2020)Three allosteric glycolytic enzymes, phosphofructokinase, glyceraldehyde-3 phosphate dehydrogenase and pyruvate kinase, associated with bacterial, parasitic and human species, were explored to identify potential allosteric ... -
Identification of potential inhibitors of human methionine aminopeptidase (type II) for cancer therapy: Structure-based virtual screening, ADMET prediction and molecular dynamics studies
(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, ... -
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
(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 ... -
In silico design of novel and highly selective lysine-specific histone demethylase inhibitors
(Scientific Technical Research Council Turkey-Tubitak, 2011)Histone lysine-specific demethylase (LSD1) is involved in a wide range of epigenetic processes and plays important roles in gene silencing DNA transcription DNA replication DNA repair and heterochromatin formation. Its ... -
In silico identification of novel and selective monoamine oxidase B inhibitors
(SPRINGER WIEN, 2013)Monoamine oxidases (MAO) A and B are flavin adenine dinucleotides containing enzymes bound to the mitochondrial outer membranes of the cells of the brain liver intestine and placenta as well as platelets. Recently selective ... -
In Silico Modeling of Dopamine Transporter and Design of Novel Neuroprotective Agents
(Amer Chemical Soc, 2016)[Abstract Not Available] -
In situ steady state fluorescence (SSF) technique to study drying of PAAm hydrogels made of various cross-linker contents
(Elsevier Science, 2009)Drying experiments of polyacrylamide (PAAm) gels were performed using steady-state fluorescence (SSF) spectrometer. Pyranine (P) was introduced as a fluorescence probe and intensity of P from various crosslinker content ... -
Insights into the binding mode of new N-substituted pyrazoline derivatives to MAO-A: docking and quantum chemical calculations
(SPRINGER WIEN, 2013)The binding modes of four N-substituted pyrazoline derivatives as novel MAO-A inhibitory agents were investigated using docking and quantum chemical molecular modelling tools. -
Intermolecular interactions in human HDAC8 crystal structures and the stability of binding modes of co-crystallized inhibitors
(Amer Chemical Soc, 2019)[Abstract Not Available] -
Intrinsic Dynamics and Causality in Correlated Motions Unraveled in Two Distinct Inactive States of Human beta(2)-Adrenergic Receptor
(Amer Chemical Soc, 2019)The alternative inactive state of the human beta(2)-adrenergic receptor originally exposed in molecular dynamics simulations was investigated using various analysis tools to evaluate causality between correlated residue-pair ... -
Investigation of allosteric communication pathways in human beta 2-adrenergic receptor
(Wiley-Blackwell, 2015)[Abstract Not Available] -
Investigation of Allosteric Coupling in Human Beta(2)-Adrenergic Receptor in the Presence of Intracellular Loop 3
(BMC, 2016)Background: This study investigates the allosteric coupling that exists between the intra- and extracellular parts of human beta(2)-adrenergic receptor (beta(2)-AR) in the presence of the intracellular loop 3 (ICL3) which ... -
Investigation of Drying of Poly(N-isoproplacrylamide-co-acrylamide) by Fluorescence Technique
(Wiley-Blackwell, 2013)The steady-state fluorescence technique was performed on drying of various molar percentages of poly(N-isopropylacrylamide-co- acrylamide) [poly(NIPA-co-AAc)] to elucidate the mechanism of temperature-induced phase separation ... -
Investigation of intrinsic dynamics and allosteric coupling in human beta 2-adrenergic receptor
(Springer, 2017)[Abstract Not Available] -
Investigation of PSt-MWCNT concentration on epoxyacrylate photopolymerization and conductivity of polymer films
(Elsevier Science SA, 2013)Photopolymerization kinetics and conductivity changes of epoxyacrylate composites for various loading modified PSt-MWCNT weight fractions changing from 0.0025 to 0.2 wt.% were evaluated by performing photo differential ... -
Kinetic models for the dynamical behavior of polyacrylamide (PAAm)-kappa-carrageenan (kappa C) composite gels
(Springer, 2015)A fluorescence method was employed for studying the drying and swelling of PAAm-kappa C composite gels which were formed from acrylamide (AAm) and N N'- methylenebisacrylamide (BIS) with various kappa-carrageenan (kappa ... -
Level Densities of Heavy Nuclei in the Shell Model Monte Carlo Approach
(EDP Sciences, 2016)Nuclear level densities are necessary input to the Hauser-Feshbach theory of compound nuclear reactions. However the microscopic calculation of level densities in the presence of correlations is a challenging many-body ...