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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 ...
The neural gamma(2)alpha(1)beta(2)alpha(1)beta(2) gamma amino butyric acid ion channel receptor: structural analysis of the effects of the ivermectin molecule and disulfide bridges
(Springer, 2018)
While similar to 30% of the human genome encodes membrane proteins only a handful of structures of membrane proteins have been resolved to high resolution. Here we studied the structure of a member of the Cys-loop ligand ...
Carboxylic acid derivatives display potential selectivity for human histone deacetylase 6: Structure-based virtual screening molecular docking and dynamics simulation studies
(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 ...
Thermal Phase Transitions of IOTA Carrageenan in CaCl2 Solutions: A Fluorescence Study
(Taylor & Francis Inc, 2011)
The fluorescence technique was employed to study thermal phase transitions of iota (-) carrageenan (IC) in CaCl2 solution. IC gels underwent coil to double helix (c-h) and double helix to dimer (h-d) transitions upon ...
Modelling of Swelling by the Fluorescence Technique in Kappa Carrageenan Gels
(Amer Inst Physics, 2011)
Kappa (-kappa) carrageenan gels prepared with various carrageenan concentrations in pure water were completely dried and then swelled in water vapor. Steady state fluorescence measurements were performed using a spectrometer ...
The Effect Of Surfaces On The Orientational Properties and Phase Transitions Peculiarities Of A Nonpolar Smectogen
(World Scientific Publ Co Pte Ltd, 2010)
The effect of thin films on the orientational and optical properties of nonpolar monolayer smectogen 4-butoxyphenyl-4'-decyloxybenzoate ((10) over barO (4) over bar) liquid crystal has been studied by polarizing microscopy ...
Examining the stability of binding modes of the co-crystallized inhibitors of human HDAC8 by molecular dynamics simulation
(Taylor & Francis Inc, 2019)
Histone deacetylase (HDAC) 8 has been implicated as a potential therapeutic target in a variety of cancers neurodegenerative disorders metabolic dysregulation and autoimmune and inflammatory diseases. Several nonselective ...
Effects of GNP addition on optical properties and band gap energies of PMMA films
(Wiley, 2019)
In this study the effects of graphene nanoplatelet (GNP) doping on the optical parameters (absorption coefficient alpha and extinction coefficient k) and the optical transition energies (optical band gap and Urbach energies) ...
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 ...
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 ...