Beyond picomolar affinities: quantitative aspects of noncovalent and covalent binding of drugs to proteins - Wikidata - awgldk - TriplyDB

Beyond picomolar affinities: quantitative aspects of noncovalent and covalent binding of drugs to proteins

Beyond picomolar affinities: quantitative aspects of noncovalent and covalent binding of drugs to proteins

http://www.wikidata.org/entity/Q24649147

about

Developing irreversible inhibitors of the protein kinase cysteinome Structural Framework for Covalent Inhibition of Clostridium botulinum Neurotoxin A by Targeting Cys165 Reversible targeting of noncatalytic cysteines with chemically tuned electrophiles Covalent docking of large libraries for the discovery of chemical probes Mining a cathepsin inhibitor library for new antiparasitic drug leads The Die Is Cast: Precision Electrophilic Modifications Contribute to Cellular Decision Making Prediction of ligand-binding sites of proteins by molecular docking calculation for a random ligand library Strategies for discovering and derisking covalent, irreversible enzyme inhibitors.Design of reversible, cysteine-targeted Michael acceptors guided by kinetic and computational analysis.Reversible inhibitors of regulators of G-protein signaling identified in a high-throughput cell-based calcium signaling assay.Protocol for rational design of covalently interacting inhibitors.Biophysical limits of protein-ligand binding.Mapping a protein recognition centre with chiral photoactive ligands. An integrated approach combining photophysics, reactivity, proteomics and molecular dynamics simulation studies Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.Additivity-based design of the strongest possible turkey ovomucoid third domain inhibitors for porcine pancreatic elastase (PPE) and Streptomyces griseus protease B (SGPB).Inhibitors of cathepsin K: a patent review (2004 - 2010).Discovery of small molecule cancer drugs: successes, challenges and opportunities.Dissection of H-bonding interactions in a glycolic acid-water dimer.Targeted Covalent Inhibitors for Drug Design.Association models for binding of molecules to nanostructures.Covalent inhibition of protein tyrosine phosphatases.Observations on screening-based research and some concerning trends in the literature.Proof of Principle for a Novel Class of Antihypertensives That Target the Oxidative Activation of PKG Iα (Protein Kinase G Iα).Potent, long-acting cyclopentane-1,3-Dione thromboxane (A2)-receptor antagonists.Two-component covalent inhibitor.A computational view on the significance of E-ring in binding of (+)-arisugacin A to acetylcholinesterase.Synthesis and biological evaluation of p38alpha kinase-targeting dialkynylimidazoles.CovalentDock: automated covalent docking with parameterized covalent linkage energy estimation and molecular geometry constraints.Pyrrocidine A, a metabolite of endophytic fungi, has a potent apoptosis-inducing activity against HL60 cells through caspase activation via the Michael addition.Synthesis and Deployment of an Elusive Fluorovinyl Cation Equivalent: Access to Quaternary α-(1'-Fluoro)vinyl Amino Acids as Potential PLP Enzyme Inactivators.Quantitative probing of subtle interactions among H-bonds in alpha hydroxy carboxylic acid complexes.Inhibition of Mcl-1 through covalent modification of a noncatalytic lysine side chain.Computation of the binding affinities of catechol-O-methyltransferase inhibitors: multisubstate relative free energy calculations.Focusing on probe-modified peptides: a quick and effective method for target identification.Reversible covalent inhibition of a protein target.The Taxonomy of Covalent Inhibitors The Effect of CYP2B6, CYP2D6, and CYP3A4 Alleles on Methadone Binding: A Molecular Docking Study

P2860

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P2860

Beyond picomolar affinities: quantitative aspects of noncovalent and covalent binding of drugs to proteins

http://www.wikidata.org/entity/Q24649147

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2009 nî lūn-bûn

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2009 թուականի Յունուարին հրատարակուած գիտական յօդուած

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2009 թվականի հունվարին հրատարակված գիտական հոդված

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2009年の論文

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Beyond picomolar affinities: q ...... t binding of drugs to proteins

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Beyond picomolar affinities: q ...... t binding of drugs to proteins

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Journal of Medicinal Chemistry

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Beyond picomolar affinities: q ...... t binding of drugs to proteins

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Adam J T Smith

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Andrew G Leach

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Xiyun Zhang

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P2860

Enzyme activity profiles of the secreted and membrane proteome that depict cancer cell invasiveness.

The origins of femtomolar protein-ligand binding: hydrogen-bond cooperativity and desolvation energetics in the biotin-(strept)avidin binding site

The maximal affinity of ligands

BRENDA, AMENDA and FRENDA: the enzyme information system in 2007

Viracept (nelfinavir mesylate, AG1343): a potent, orally bioavailable inhibitor of HIV-1 protease

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

Catalytic proficiency: the unusual case of OMP decarboxylase

Irreversible inhibitors of serine, cysteine, and threonine proteases

Structural biology and drug discovery

How many drug targets are there?

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225-33

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scholarly article

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3575677

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10.1021/JM800498E

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2

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52

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19053779

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2646787

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