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Book on Molecular Recognition

#0752


Writing and Preparation for Publication of the Book "Molecular Recognition: Pharmacological Aspects"

Tech Area / Field

  • MED-OTH/Other/Medicine

Status
8 Project completed

Registration date
17.09.1996

Completion date
14.03.2003

Senior Project Manager
Stephen E L

Leading Institute
State Research Institute of Organic Chemistry and Technology, Russia, Moscow

Collaborators

  • Southern Illinois University / School of Medicine / Department of Pharmacology, USA, IL, Springfield\nGeorgia Institute of Technology, USA, GA, Atlanta

Project summary

The aim of the Project is to write a monograph (250-300 pp.), in which the state-of-the-art of the molecular recognition and our own conceptions on the mechanisms of molecular selectivity in a drug-receptor system will be discussed.

The ability to recognize the receptor is one of the most important factors, determining the physiological activity of substances. The progress in design of drugs with necessary properties is mainly associated with studying molecular recognition mechanisms. However, it is necessary to summarize all information on this problem.

The main parts of the book will be devoted to information that is contained in a drug structure, and is essential to find the corresponding receptor. A great attention is paid to the stage of precontact interactions, which plays an important role in the recognition. As a rule, the existent literature cites the studies of recognition, which are restricted only to characterization of the properties of complexes. In the proposed book, the recognition is described as a dynamic process of choosing the certain receptor among other numerous biomolecules by the method of trials and errors. The formation of stable ligand-receptor complexes is considered to result from recognition.

The book will describe some of aspects relating to: (i) optimal charges of atoms in drug and receptor molecules; (ii) permissible energy limits during conformational rearrangements of ligands and receptors; (iii) partial contribution on to the free energy of complex formation between particular groups of drug molecules.

Computer calculations along with experiments to determine the constants of drug-receptor binding will be necessary to substantiate some provisions put forward by the authors of the book.

This book has not its analogies and will consist of six chapters:


1. State-of-the-art of Molecular Recognition in A Drug-Receptor System.
2. Forces, Participating in Drug-Receptor Complex Formation.
3. Properties of Drug-Receptor Complexes.
4. Distant Interactions of Drugs with Receptors.
5. Molecular Recognition and Drug Design.
6. Methods to Study Drug-Receptor Interactions.

The book will be of interest for chemists and pharmacologist, and other specialists in molecular drug design.


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