xxiii, 334 pages : illustrations (some color) ; 25 cm
CONTENT
Thermodynamics: The binding thermodynamics of drug candidates -- van't Hoff based thermodynamics -- Computation of drug-binding thermodynamics -- Thermodynamics-guided optimizations im medinal chemistry -- From molecular understanding to structure -thermodynamic relationships, the case of acetylcholone binding proteins -- Thermodynamics in lead optimization -- Thermodynamic profiling of carbonic anhydrase inhibitors -- Kinetics: Drug-target residence time -- Experimental methods to determine binding kinetics -- Challenges in the medicinal chemical optimization of binding kinetics -- Computational approaches for studying drug binding kinetics -- The use of structural information to understand binding kinetics -- Importance of drug-target residence time at G protein-coupled receptors -- a case for the adenosine receptors -- Case study: angiotensin receptor blockers (ARBs) -- The kinetics and thermodynamics of staphylococcus aureus Fable inhibition -- Perspective: Thermodynamics and binding kinetics in drug discovery