Bioactive peptides have potential as drug leads, but turning them into drugs is a challenge
because of their typically poor metabolic stability. Molecular grafting is one approach to …

Small-molecule drug discovery involves the optimization of various physicochemical
properties of a ligand, particularly its binding affinity for its target receptor (or receptors). In …

Diabetes-induced hyperglycemia increases the extracellular concentration of methylglyoxal.
Methylglyoxal-derived hydroimidazolones (MG-H) form advanced glycation end products …

Isothermal titration calorimetry is a widely used biophysical technique for studying the
formation or dissociation of molecular complexes. Over the last 5 years, much work has …

Introduction: Drug discovery is a challenging endeavor requiring the interplay of many
different research areas. Gathering information on ligand binding thermodynamics may help …

A previously studied congeneric series of thermolysin inhibitors addressing the solvent-
accessible S2′ pocket with different hydrophobic substituents showed modulations of the …

The molecular mechanism of the heme protein, hemoglobin (Hb) interaction with sulfa
molecule, sulfadiazine (SDZ) has been investigated through spectroscopic, neutron …

Water is ubiquitously present in any biological system and has therefore to be regarded as
an additional binding partner in the protein–ligand binding process. Upon complex …

In Escherichia coli, the peptidoglycan cell wall is synthesized by bifunctional penicillin-
binding proteins such as PBP1b that have both transpeptidase and transglycosylase …

For a conscientious interpretation of thermodynamic parameters (Gibbs free energy,
enthalpy and entropy) obtained by isothermal titration calorimetry (ITC), it is necessary to first …