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Molecular Recognition in Pharmacology

Mikhail Darkhovskiy

$131

Hardback

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English
CRC Press
11 December 2023
This unique volume traces the behavior of the drug substance, starting from the initial pre-contact stage, and ending with the formation of the complex. Molecular recognition lies in the foundation of every life form and includes many mysteries. Currently, studies on this topic in pharmacology are limited to determining the properties of complexes of medicinal substances (drugs) with specific (complementary) biomolecules: receptors, enzymes, ion channels etc. The results present the mechanisms preventing drugs from such non-specific binding. This direction is very fruitful, although the phenomenon of molecular recognition is far wider.

Features

Presents the basics of thermodynamics and kinetics of complex formation between ligands and receptors Selected novel therapeutic concepts are tested and validated Provides a review of the pharmacophore approach and drug design methods By its nature, pharmacology is a multi-disciplinary science, hence, disciplinary areas include chemistry, biology and neuroscience Discusses hot topics including 3D structure determination techniques and in silico methods and neural networks

The main theme of the book is the consideration of mechanisms created by nature to protect physiologically active substances from being stuck on nonspecific acceptors in the body. The book describes the materials that aid in the development of new medicinal substances. It is intended for researchers, as well as upper-level undergraduate and graduate students interested in the problems of molecular pharmacology and drug design.

By:  
Imprint:   CRC Press
Country of Publication:   United Kingdom
Dimensions:   Height: 254mm,  Width: 178mm, 
Weight:   920g
ISBN:   9781032431086
ISBN 10:   1032431083
Series:   Drugs and the Pharmaceutical Sciences
Pages:   188
Publication Date:  
Audience:   College/higher education ,  Professional and scholarly ,  Primary ,  Undergraduate
Format:   Hardback
Publisher's Status:   Active
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

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).

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