Pharmacophores and pharmacophore searches pdf
File Name: pharmacophores and pharmacophore searches .zip
- Pharmacophore modeling: advances, limitations, and current utility in drug discovery
- Structure-based three-dimensional pharmacophores as an alternative to traditional methodologies
- Water Pharmacophore: Designing Ligands using Molecular Dynamics Simulations with Water
- Pharmacophore Modelling: Methods,Experimental Verification and Applications
Pharmacophore modeling: advances, limitations, and current utility in drug discovery
Metrics details. Nuclear receptors NRs constitute an important class of therapeutic targets. We could generate selective pharmacophores for agonist and antagonist ligands and we found that the best performances were obtained by combining the structure-based and the ligand-based approaches. The 3D pharmacophores herein presented can thus be used as a predictor of the pharmacological activity of NRs ligands. Using a combination of structure-based and ligand-based pharmacophores, agonist and antagonist ligands of the Nuclear Receptors included in the NRLiSt BDB database could be separated. Nuclear receptors NRs are involved in a wide range of physiological key functions.
Structure-based three-dimensional pharmacophores as an alternative to traditional methodologies
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Keywords: pharmacophore; virtual screening; ligand protein The concept of “pharmacophores” dates back to the late 19th century, when Paul Ehrlich Considering the ongoing search for novel 11β-HSD1 inhibitors, high.
Water Pharmacophore: Designing Ligands using Molecular Dynamics Simulations with Water
David Ryan Koes, Carlos J. A pharmacophore describes the spatial arrangement of the essential features of an interaction. Compounds that match a well-defined pharmacophore serve as potential lead compounds for drug discovery.
Pharmacophore Modelling: Methods,Experimental Verification and Applications
Larissa M. Janay S. David B. Manoelito C.
Wiley Online Library Sample Chapter. The first handbook to address the practical aspects of this novel method, providing a complete overview and progressing from general considerations to real life drug discovery scenarios. A valuable aid for bench scientists and project leaders in pharmaceutical industry.
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