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Innovative Multipodal Ligands Derived from Tröger's Bases for the Sensitization of Lanthanide(III) Luminescence
(Wiley VCH Verlag, 2020-12)
Herein, the synthesis and characterization of the first family of multipodal ligands with a Tröger's base framework designed for the preparation of luminescent lanthanide(III) complexes are reported. Eight ligands were ...
Bulky monodentate biphenylarsine ligands: Synthesis and evaluation of their structure effects in the palladium-catalyzed Heck reaction
(Wiley VCH Verlag, 2015-04)
Biphenyl-based arsine ligands were prepared in two-step fashion by Pd-catalyzed arsination and microwave-assisted Suzuki-Miyaura coupling, providing sterically demanding arsine ligands in overall isolated yields up to 82 ...
Computational Biology Tools for Identifying Specific Ligand Binding Residues for Novel Agrochemical and Drug Design
(Bentham Science Publ Ltd, 2015-01-01)
The term agrochemicals is used in its generic form to represent a spectrum of pesticides, such as insecticides, fungicides or bactericides. They contain active components designed for optimized pest management and control, ...
Computational biology tools for identifying specific ligand binding residues for novel agrochemical and drug design
(2015-01-01)
The term “agrochemicals” is used in its generic form to represent a spectrum of pesticides, such as insecticides, fungicides or bactericides. They contain active components designed for optimized pest management and control, ...
Only subtle protein conformational adaptations are required for ligand binding to thyroid hormone receptors: Simulations using a novel multipoint steered molecular dynamics approach
(AMER CHEMICAL SOC, 2008)
Thyroid hormone receptors (TR) are hormone-dependent transcription regulators that play a major role in human health, development, and metabolic functions. The thyroid hormone resistance syndrome, diabetes, obesity, and ...
AFAL: a web service for profiling amino acids surrounding ligands in proteins
(Journal of Computer-Aided Molecular Design. Volume 28, Issue 11, Pages 1069 - 1076. November 2014, 2014-11)
With advancements in crystallographic technology and the increasing wealth of information populating structural databases, there is an increasing need for prediction tools based on spatial information that will support the ...
Natural products biological screening and ligand-based virtual screening for the discovery of new antileishmanial agents
(BENTHAM SCIENCE PUBL LTD, 2008)
In the course of our research program to discover novel antileishmanial agents, a biological screening of natural products against Leishmania major promastigotes allowed the identification of a furoquinoline alkaloid (1) ...
Structure- and ligand-based drug design approaches for neglected tropical diseases
(INT UNION PURE APPLIED CHEMISTRYRES TRIANGLE PK, 2012)
Drug discovery has moved toward more rational strategies based on our increasing understanding of the fundamental principles of protein-ligand interactions. Structure( SBDD) and ligand-based drug design (LBDD) approaches ...