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Differential effects of TR ligands on hormone dissociation rates: Evidence for multiple ligand entry/exit pathways
(Elsevier, 2009-11)
Some nuclear receptor (NR) ligands promote dissociation of radiolabeled bound hormone from the buried ligand binding cavity (LBC) more rapidly than excess unlabeled hormone itself. This result was interpreted to mean that ...
Differential effects of TR ligands on hormone dissociation rates: Evidence for multiple ligand entry/exit pathways
(PERGAMON-ELSEVIER SCIENCE LTD, 2009)
Some nuclear receptor (NR) ligands promote dissociation of radiolabeled bound hormone from the buried ligand binding cavity (LBC) more rapidly than excess unlabeled hormone itself This result was interpreted to mean that ...
Comparing and combining implicit ligand sampling with multiple steered molecular dynamics to study ligand migration processes in heme proteins
(John Wiley & Sons Inc, 2011-07)
The ubiquitous heme proteins perform a wide variety of tasks that rely on the subtle regulation of their affinity for small ligands like O2, CO, and NO. Ligand affinity is characterized by kinetic association and dissociation ...
π-Donor/acceptor effect on Lindqvist type polyoxomolibdates because of various multiple-bonded nitrogenous ligands
(2007-07-19)
The electronic structures of Lindqvist type functionalized polyoxometalates (POM) ([Mo6O18R]n-- R = O, NO, NAr, NNAr, NNAr2; n = 2, 3) have been investigated using density functional methods. We discuss the role of the ...
Anti-inflammatory drug design by molecular hybridization approach
(2011)
The design of new drugs with better physiochemical properties, adequateabsorption, distribution, metabolism, and excretion, effective pharmacologic potency andlacking toxicity remains is a challenge. Inflammation is the ...
Multiple minima hypersurfaces procedures for biomimetic ligands screening
(2011-09-08)
In this work the interaction of the pesticide carbaryl with two groups of biomimetic ligands, peptides and MIPs was screened by multiple minima hypersurfaces (MMH) procedures, through the AM1 semiempirical method. Data ...
Multiple minima hypersurfaces procedures for biomimetic ligands screening
(2011-09-08)
In this work the interaction of the pesticide carbaryl with two groups of biomimetic ligands, peptides and MIPs was screened by multiple minima hypersurfaces (MMH) procedures, through the AM1 semiempirical method. Data ...
Multi-target pharmacology: Possibilities and limitations of the "skeleton key approach" from a medicinal chemist perspective
(Frontiers Research Foundation, 2015-09)
Multi-target drugs have raised considerable interest in the last decade owing to their advantages in the treatment of complex diseases and health conditions linked to drug resistance issues. Prospective drug repositioning ...