Molecular Recognition in Pharmacology

ISBN-13: 9781032431086 / Twarda / 2023 / 216 str.

Mikhail Darkhovskiy

Opis

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.

Spis treści

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

O autorze

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).