19 articles for thisTarget
The following articles (labelled with PubMed ID or TBD) are for your review
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Binding cooperativity between a ligand carbonyl group and a hydrophobic side chain can be enhanced by additional H-bonds in a distance dependent manner: A case study with thrombin inhibitors.
The State University of New York
Additivity or cooperativity: which model can predict the influence of simultaneous incorporation of two or more functionalities in a ligand molecule?
The State University of New York
Thiorhodamines containing amide and thioamide functionality as inhibitors of the ATP-binding cassette drug transporter P-glycoprotein (ABCB1).
The State University of New York
Water mediated ligand functional group cooperativity: the contribution of a methyl group to binding affinity is enhanced by a COO(-) group through changes in the structure and thermodynamics of the hydration waters of ligand-thermolysin complexes.
The State University of New York
1-Naphthyl and 4-indolyl arylalkylamines as selective monoamine reuptake inhibitors.
The State University of New York
Enhancement of hydrophobic interactions and hydrogen bond strength by cooperativity: synthesis, modeling, and molecular dynamics simulations of a congeneric series of thrombin inhibitors.
The State University of New York
Rhodamine inhibitors of P-glycoprotein: an amide/thioamide"switch" for ATPase activity.
The State University of New York
Pitfalls and Considerations in Determining the Potency and Mutant Selectivity of Covalent Epidermal Growth Factor Receptor Inhibitors.
The State University of New York
Structural Basis for Inhibition of Mutant EGFR with Lazertinib (YH25448).
The State University of New York
Privileged scaffolds for blocking protein-protein interactions: 1,4-disubstituted naphthalene antagonists of transcription factor complex HOX-PBX/DNA.
The State University of New York
Selenorhodamine photosensitizers for photodynamic therapy of P-glycoprotein-expressing cancer cells.
The State University of New York
Chalcogenopyrylium compounds as modulators of the ATP-binding cassette transporters P-glycoprotein (P-gp/ABCB1) and multidrug resistance protein 1 (MRP1/ABCC1).
The State University of New York
Modulating hydrogen-bond basicity within the context of protein-ligand binding: A case study with thrombin inhibitors that reveals a dominating role for desolvation.
The State University of New York
Aminopyrimidine Derivatives as Cyclin-Dependent Kinase Inhibitors
Accutar Biotechnology