Combined Structure and Ligand-Based Design of Selective Acetylcholinesterase Inhibitors
Sign Up to like & getrecommendations! Published in 2021 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.0c00463
Abstract: Acetylcholinesterase is a prime target for therapeutic intervention in Alzheimer's disease. Acetylcholinesterase inhibitors (AChEIs) are used to improve cognitive abilities, playing therefore an important role in disease management. Drug repurposing screening has been performed on… read more here.
Keywords: acetylcholinesterase; combined structure; acetylcholinesterase inhibitors; drug ... See more keywords
Structure- and Ligand-Based Discovery of Chromane Arylsulfonamide Nav1.7 Inhibitors for the Treatment of Chronic Pain.
Sign Up to like & getrecommendations! Published in 2019 at "Journal of medicinal chemistry"
DOI: 10.1021/acs.jmedchem.9b00141
Abstract: Using structure- and ligand-based design principles, a novel series of piperidyl chromane arylsulfonamide Nav1.7 inhibitors was discovered. Early optimization focused on improvement of potency through refinement of the low energy ligand conformation and mitigation of… read more here.
Keywords: ligand based; nav1 inhibitors; arylsulfonamide nav1; structure ligand ... See more keywords
Towards elucidating structure of ligand-protected nanoclusters.
Sign Up to like & getrecommendations! Published in 2020 at "Dalton transactions"
DOI: 10.1039/d0dt01418d
Abstract: Ligand-protected metal nanoclusters (NCs) are organic-inorganic nanostructures, exhibiting high stability at specific "magic size" compositions and tunable properties that make them promising candidates for a wide range of nanotechnology-based applications. Synthesis and characterization of these… read more here.
Keywords: elucidating structure; ligand protected; structure ligand; towards elucidating ... See more keywords
Structural insights on vitamin D receptor and screening of new potent agonist molecules: structure and ligand-based approach
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Biomolecular Structure and Dynamics"
DOI: 10.1080/07391102.2020.1775122
Abstract: Abstract Vitamin D deficiency is one of the common clinical symptoms of severe chronic kidney disease (CKD) patients. Vitamin D receptor (VDR) is a part of the nuclear receptor family exerts vitamin D activation to… read more here.
Keywords: ligand based; vitamin receptor; structure ligand; structure ... See more keywords
Current Scenario in Structure and Ligand-Based Drug Design on Anti-colon Cancer Drugs.
Sign Up to like & getrecommendations! Published in 2018 at "Current pharmaceutical design"
DOI: 10.2174/1381612824666181114114513
Abstract: Worldwide, colorectal cancer takes up the third position in commonly detected cancer and fourth in cancer mortality. Recent progress in molecular modeling studies has led to significant success in drug discovery using structure and ligand-based… read more here.
Keywords: cancer drugs; ligand based; drug; structure ligand ... See more keywords
Combiphore (Structure and Ligand based Pharmacophore) Approach for Design of GPR40 Modulators in Management of Diabetes.
Sign Up to like & getrecommendations! Published in 2018 at "Current drug discovery technologies"
DOI: 10.2174/1570163815666181008165822
Abstract: Pharmacophore mapping and molecular docking can be synergistically integrated to improve the drug design and discovery process. A rational strategy, combiphore approach, derived from the combined study of Structure and Ligand based pharmacophore has been… read more here.
Keywords: gpr40; ligand based; based pharmacophore; structure ligand ... See more keywords
The GABAB Receptor—Structure, Ligand Binding and Drug Development
Sign Up to like & getrecommendations! Published in 2020 at "Molecules"
DOI: 10.3390/molecules25133093
Abstract: The γ-aminobutyric acid (GABA) type B receptor (GABAB-R) belongs to class C of the G-protein coupled receptors (GPCRs). Together with the GABAA receptor, the receptor mediates the neurotransmission of GABA, the main inhibitory neurotransmitter in… read more here.
Keywords: receptor structure; drug; structure ligand; receptor ... See more keywords