Incorporating target heterogeneity in drug design

No abstract is available for this paper.

• Publication year

  2001

• Venue

  Journal of cellular biochemistry. Supplement

• Publication date

  Unknown publication date

• Fields of study

  Biology, Medicine, Chemistry

• Identifiers
  DOI 10.1002/jcb.10068PMID 11842432
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

• The binding energetics of first- and second-generation HIV-1 protease inhibitors: implications for drug design.

  2001cited by this paper
• Catalytic efficiency and vitality of HIV-1 proteases from African viral subtypes

  2001cited by this paper
• Thermodynamic basis of resistance to HIV-1 protease inhibition: calorimetric analysis of the V82F/I84V active site resistant mutant.

  2000cited by this paper
• Binding of small organic molecules to macromolecular targets: Evaluation of conformational entropy changes

  2000cited by this paper
• Structural stability of binding sites: Consequences for binding affinity and allosteric effects

  2000cited by this paper
• Dissection of Binding Energy with Native and Ligand-Bound Protein Stabilities: Determining the Affinity of Ultratight-Binding Inhibitors of HIV-1 Protease and Its Drug-Resistance Mutants†

  2000cited by this paper
• JE-2147: a dipeptide protease inhibitor (PI) that potently inhibits multi-PI-resistant HIV-1.

  1999cited by this paper
• The structural stability of the HIV-1 protease.

  1998cited by this paper
• Counteracting HIV-1 protease drug resistance: structural analysis of mutant proteases complexed with XV638 and SD146, cyclic urea amides with broad specificities.

  1998cited by this paper
• Molecular basis of HIV-1 protease drug resistance: structural analysis of mutant proteases complexed with cyclic urea inhibitors.

  1997cited by this paper
• Structure-based calculation of the equilibrium folding pathway of proteins. Correlation with hydrogen exchange protection factors.

  1996cited by this paper
• Crystal structures of complexes of a peptidic inhibitor with wild-type and two mutant HIV-1 proteases.

  1996cited by this paper
• In vivo emergence of HIV-1 variants resistant to multiple protease inhibitors

  1995cited by this paper
• Structural basis of drug resistance for the V82A mutant of HIV-1 proteinase

  1995cited by this paper
• The Key–Lock Theory and the Induced Fit Theory

  1995cited by this paper
• Effect of point mutations on the kinetics and the inhibition of human immunodeficiency virus type 1 protease: relationship to drug resistance.

  1995cited by this paper
• STRUCTURAL BASIS OF DRUG RESISTANCE FOR THE V82A MUTANT OF HIV-1 PROTEASE: BACKBONE FLEXIBILITY AND SUBSITE REPACKING

  1995cited by this paper
• Characterization of human immunodeficiency virus type 1 variants with increased resistance to a C2-symmetric protease inhibitor

  1994cited by this paper
• Selection of multiple human immunodeficiency virus type 1 variants that encode viral proteases with decreased sensitivity to an inhibitor of the viral protease.

  1994cited by this paper
• Model of a complex between the tetrahemic cytochrome c3 and the ferredoxin I from Desulfovibrio desulfuricans (Norway strain)

  1988cited by this paper

• Target-based drug design strategies to overcome resistance to antiviral agents: opportunities and challenges.

  2024cites this paper
• Diffusion models in protein structure and docking

  2024cites this paper
• Isothermal titration calorimetry

  2023cites this paper
• Quantum Mechanical Assessment of Protein–Ligand Hydrogen Bond Strength Patterns: Insights from Semiempirical Tight-Binding and Local Vibrational Mode Theory

  2023cites this paper
• Curcumin inhibited hepatitis B viral entry through NTCP binding

  2021cites this paper
• Cantilever-centric mechanism of cooperative non-active site mutations in HIV protease: Implications for flap dynamics.

  2021cites this paper
• Binding of 2-(Triazolylthio)acetamides to Metallo-β-lactamase CcrA Determined with NMR

  2020cites this paper
• An Enhanced Platform to Analyse Low-Affinity Amyloid β Protein by Integration of Electrical Detection and Preconcentrator

  2017cites this paper
• It Is Important to Compute Intramolecular Hydrogen Bonding in Drug Design

  2017cites this paper
• A look at ligand binding thermodynamics in drug discovery

  2017cites this paper
• A unified framework based on the binding polynomial for characterizing biological systems by isothermal titration calorimetry.

  2015cites this paper
• Characterization of protein-protein interactions by isothermal titration calorimetry.

  2015cites this paper
• Improving the Resistance Profile of Hepatitis C NS3/4A Inhibitors: Dynamic Substrate Envelope Guided Design.

  2013cites this paper
• New in silico and conventional in vitro approaches to advance HIV drug discovery and design

  2013cites this paper
• The Plasmepsin Family as Antimalarial Drug Targets

  2011cites this paper
• Drug Design: Studies of drug resistance and the dynamic behavior of HIV-1 protease through molecular dynamics simulations

  2010cites this paper
• Theoretical Prediction of Hydrogen Bond Strength for Use in Molecular Modeling

  2009cites this paper
• Recent developments in isothermal titration calorimetry label free screening.

  2009cites this paper
• Targeting structural flexibility in HIV-1 protease inhibitor binding.

  2007cites this paper
• The molecular mechanism of nitrogen-containing bisphosphonates as antiosteoporosis drugs

  2006cites this paper
• Isothermal titration calorimetry to determine association constants for high-affinity ligands

  2006cites this paper
• Computational simulations of HIV-1 proteases--multi-drug resistance due to nonactive site mutation L90M.

  2006cites this paper
• Exact analysis of heterotropic interactions in proteins: Characterization of cooperative ligand binding by isothermal titration calorimetry.

  2006cites this paper
• Overcoming HIV-1 resistance to protease inhibitors

  2006cites this paper
• ITC in the post-genomic era...? Priceless.

  2005cites this paper
• A Thermodynamic Guide to Affinity Optimization of Drug Candidates

  2005cites this paper
• Adaptive inhibitors of the HIV-1 protease.

  2005cites this paper
• Prospects for the resistance to HIV protease inhibitors: current drug design approaches and perspectives.

  2005cites this paper
• Characterization of protein-protein interactions by isothermal titration calorimetry.

  2004cites this paper
• A structural and thermodynamic escape mechanism from a drug resistant mutation of the HIV‐1 protease

  2004cites this paper
• Protein tyrosine phosphatases: strategies for distinguishing proteins in a family containing multiple drug targets and anti-targets.

  2004cites this paper
• Further structurally constrained analogues of cis-(6-benzhydrylpiperidin-3-yl)benzylamine with elucidation of bioactive conformation: discovery of 1,4-diazabicyclo[3.3.1]nonane derivatives and evaluation of their biological properties for the monoamine transporters.

  2004cites this paper
• Kinetic and thermodynamic characterization of HIV‐1 protease inhibitors

  2004cites this paper
• Thermodynamic rules for the design of high affinity HIV-1 protease inhibitors with adaptability to mutations and high selectivity towards unwanted targets.

  2004cites this paper
• Isothermal Titration Calorimetry

  2004cites this paper
• High-affinity inhibition of a family of Plasmodium falciparum proteases by a designed adaptive inhibitor.

  2003cites this paper
• A major role for a set of non-active site mutations in the development of HIV-1 protease drug resistance.

  2003cites this paper
• Amplification of the effects of drug resistance mutations by background polymorphisms in HIV-1 protease from African subtypes.

  2002cites this paper
• Overcoming drug resistance in HIV‐1 chemotherapy: The binding thermodynamics of Amprenavir and TMC‐126 to wild‐type and drug‐resistant mutants of the HIV‐1 protease

  2002influential citation
• The integration of genomic and structural information in the development of high affinity plasmepsin inhibitors.

  2002cites this paper