Rational approaches to improving selectivity in drug design
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Inhibition of Bacterial Dihydrofolate Reductase by 6-Alkyl-2,4-diaminopyrimidinesDissecting the hydrophobic effect on the molecular level: the role of water, enthalpy, and entropy in ligand binding to thermolysinIdentification of a novel polyfluorinated compound as a lead to inhibit the human enzymes aldose reductase and AKR1B10: structure determination of both ternary complexes and implications for drug designThe role of flexibility and conformational selection in the binding promiscuity of PDZ domainsStructural probing of off-target G protein-coupled receptor activities within a series of adenosine/adenine congenersPredictions of Ligand Selectivity from Absolute Binding Free Energy CalculationsStructural and mutational analyses of dipeptidyl peptidase 11 from Porphyromonas gingivalis reveal the molecular basis for strict substrate specificity.Consensus Induced Fit Docking (cIFD): methodology, validation, and application to the discovery of novel Crm1 inhibitors.Anesthetic drug development: Novel drugs and new approaches.Mechanistic insights into the substrate recognition of PPO: toward the rational design of effective inhibitorsTargeting the cyclin-binding groove site to inhibit the catalytic activity of CDK2/cyclin A complex using p27(KIP1)-derived peptidomimetic inhibitorsAn approach to "escape from flatland": chemo-enzymatic synthesis and biological profiling of a library of bridged bicyclic compounds.The scoring bias in reverse docking and the score normalization strategy to improve success rate of target fishing.Fragment-based drug discovery as alternative strategy to the drug development for neglected diseases.CHARMM-GUI Ligand Binder for absolute binding free energy calculations and its applicationMolecular determinants of binding to the Plasmodium subtilisin-like protease 1.Molecular mechanisms and design principles for promiscuous inhibitors to avoid drug resistance: lessons learned from HIV-1 protease inhibition.Benzimidazole-2-one: a novel anchoring principle for antagonizing p53-Mdm2Second harmonic generation correlation spectroscopy for characterizing translationally diffusing protein nanocrystals.Testing the substrate-envelope hypothesis with designed pairs of compounds.A single glycine in extracellular loop 1 is the critical determinant for pharmacological specificity of dopamine D2 and D3 receptors.Improving the Resistance Profile of Hepatitis C NS3/4A Inhibitors: Dynamic Substrate Envelope Guided DesignUse of allosteric targets in the discovery of safer drugs.Molecular recognition in chemical and biological systems.Characterization of potent and selective iodonium-class inhibitors of NADPH oxidases.The impact of structural biology in medicine illustrated with four case studies.Anti-Onchocerca and Anti-Caenorhabditis Activity of a Hydro-Alcoholic Extract from the Fruits of Acacia nilotica and Some Proanthocyanidin Derivatives.Synthesis, molecular docking and biological evaluation of glycyrrhizin analogs as anticancer agents targeting EGFR.Biomacromolecular 3D-QSAR to Decipher Molecular Herbicide Resistance in Acetohydroxyacid Synthases.Dynamic behavior of the post-SET loop region of NSD1: Implications for histone binding and drug development.Cationic PAMAM dendrimers as pore-blocking binary toxin inhibitors.Novel Inverse Binding Mode of Indirubin Derivatives Yields Improved Selectivity for DYRK Kinases.Anticancer mechanisms of Strobilanthes crispa Blume hexane extract on liver and breast cancer cell lines.Replica-Exchange and Standard State Binding Free Energies with Grand Canonical Monte Carlo.Predicting subtype selectivity of dopamine receptor ligands with three-dimensional biologically relevant spectrum.Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase.Structure based drug design and in vitro metabolism study: Discovery of N-(4-methylthiophenyl)-N,2-dimethyl-cyclopenta[d]pyrimidine as a potent microtubule targeting agent.Large-scale analysis of water stability in bromodomain binding pockets with grand canonical Monte CarloStructure-guided design of a potent peptide inhibitor targeting the interaction between CRK and ABL kinase
P2860
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P2860
Rational approaches to improving selectivity in drug design
description
2012 nî lūn-bûn
@nan
2012 թուականի Փետրուարին հրատարակուած գիտական յօդուած
@hyw
2012 թվականի փետրվարին հրատարակված գիտական հոդված
@hy
2012年の論文
@ja
2012年論文
@yue
2012年論文
@zh-hant
2012年論文
@zh-hk
2012年論文
@zh-mo
2012年論文
@zh-tw
2012年论文
@wuu
name
Rational approaches to improving selectivity in drug design
@ast
Rational approaches to improving selectivity in drug design
@en
Rational approaches to improving selectivity in drug design
@nl
type
label
Rational approaches to improving selectivity in drug design
@ast
Rational approaches to improving selectivity in drug design
@en
Rational approaches to improving selectivity in drug design
@nl
prefLabel
Rational approaches to improving selectivity in drug design
@ast
Rational approaches to improving selectivity in drug design
@en
Rational approaches to improving selectivity in drug design
@nl
P2860
P356
P1476
Rational approaches to improving selectivity in drug design
@en
P2093
Woody Sherman
P2860
P304
P356
10.1021/JM2010332
P407
P577
2012-01-12T00:00:00Z