This unique volume gives the basics of thermodynamics and kinetics of complex formation between ligands and receptors. The book is intended for pharmacologists, chemists, physics engaged in the creation of new medicinal substances.
This unique volume gives the basics of thermodynamics and kinetics of complex formation between ligands and receptors. The book is intended for pharmacologists, chemists, physics engaged in the creation of new medicinal substances.
Mikhail Borisovich Darkhovskiy graduated from Moscow State University in 1996 with a major in Quantum Chemistry. In 2005 he earned a PhD in Chemistry and Solid-State Physics under the supervision of Dr. Andrei Thougreeff. His research was in electronic structure and transformation of spin- isomers of iron and cobalt complexes in spin transitions using the QM/ MM effective crystal field method. Together with Professor Dukhovich, he investigated the factors involved in molecular recognition in "ligand-receptor" systems, the influence of water on complex strength, and conformational entropy as a hidden factor for complex formation. Currently, he works in the biotech startup InterX (a subsidiary of NeoTX company), participating in the development of methods for the accurate prediction of compounds' binding affinity to proteins. His awards include the INTAS Young Scientist award, and, Emory University Visiting Scientist award (Cherry L. Emerson Center for Scientific Computation Fellowship).
Inhaltsangabe
Chapter 1 Energy of Intermolecular Interactions in Drug-Receptor Complex Formation Chapter 2 Methods for Studying Drug-Receptor Binding Chapter 3 Methods for Drug Discovery Research Chapter 4 Thermodynamics of Drug-Receptor Complex Formation Chapter 5 Effect of conformation entropy on affinity of specific ligands Chapter 6 Kinetics of Drug-Receptor Complex Formation Chapter 7 Distant and Contact Interactions of Drugs with Specific and Non-specific Receptors Chapter 8 Influence of bound water on interaction of the chemical groups in drugs and receptors Chapter 9 Information Required for Receptor Recognition Chapter 10 Agonists and Antagonists Chapter 11. Non-selective Drugs Chapter 12 Search Paths for Novel Therapeutics
Chapter 1 Energy of Intermolecular Interactions in Drug-Receptor Complex Formation Chapter 2 Methods for Studying Drug-Receptor Binding Chapter 3 Methods for Drug Discovery Research Chapter 4 Thermodynamics of Drug-Receptor Complex Formation Chapter 5 Effect of conformation entropy on affinity of specific ligands Chapter 6 Kinetics of Drug-Receptor Complex Formation Chapter 7 Distant and Contact Interactions of Drugs with Specific and Non-specific Receptors Chapter 8 Influence of bound water on interaction of the chemical groups in drugs and receptors Chapter 9 Information Required for Receptor Recognition Chapter 10 Agonists and Antagonists Chapter 11. Non-selective Drugs Chapter 12 Search Paths for Novel Therapeutics
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