Free download Textbook of Drug Design and Discovery by U. Madsen

3rd edition

Authors of:  Textbook of Drug Design and Discovery by U. Madsen

Ulf Madsen

Povl Krogsgaard Larsen

Tommy Liljefors

Table of Contents in Textbook of Drug Design and Discovery by U. Madsen

Introduction to Drug Design and Discovery (Ulf Madsen and Povl Krogsgaard-Larsen)
This section introduces the fundamentals of drug design and discovery. It covers the critical steps in the development of new therapeutic compounds, from identifying drug targets to optimizing drug efficacy and safety. The process of discovering new drugs involves a deep understanding of biology, chemistry, and pharmacology.

Molecular Recognition (Thomas Balle and Tommy Liljefors)
Molecular recognition is a crucial aspect of drug design, focusing on how drugs interact with their biological targets. This chapter explains the molecular interactions between ligands (drugs) and receptors (proteins or enzymes), including non-covalent interactions such as hydrogen bonding, van der Waals forces, and hydrophobic effects. These interactions determine the drug’s specificity and efficacy.

Ligand-Based Drug Design (Erica S. Burnell, David E. Jane, and Robert J. Thatcher)
This section explores drug design based on the known structures of ligands that bind to specific biological targets. Ligand-based drug design uses computational models to predict how changes in a drug’s structure can affect its interaction with its target. Techniques such as quantitative structure-activity relationships (QSAR) and molecular docking are key tools in this approach.

Biostructure-Based Drug Design (Flemming Steen Jørgensen and Jette Sandholm Kastrup)
Biostructure-based drug design, also known as structure-based drug design (SBDD), focuses on designing drugs using the three-dimensional structure of a biological target, such as an enzyme or receptor. This chapter discusses how advances in X-ray crystallography, NMR spectroscopy, and molecular modeling have enabled the visualization of target structures, allowing for the precise tailoring of drugs to fit these structures.

Drug-Like Properties and Decision Making in Medicinal Chemistry (Jan Kehler, Lars Kyhn Rasmussen, and Morten Jørgensen)
Understanding the “drug-likeness” of a compound is critical in the early stages of drug design. This chapter covers the key properties that make a molecule suitable as a drug, including solubility, permeability, metabolic stability, and toxicity. It also addresses how medicinal chemists make decisions about which compounds to pursue further in the drug development process.

Chemical Biology (Louise Albertsen and Kristian Strømgaard)
Chemical biology lies at the intersection of chemistry and biology, using chemical tools and techniques to study and manipulate biological systems. This section discusses the use of small molecules to probe biological processes and how chemical biology can contribute to drug discovery by identifying new drug targets and understanding disease mechanisms.

Natural Products in Drug Discovery (Guy T. Carter)
Natural products have been a rich source of therapeutic agents for centuries. This chapter highlights how compounds derived from plants, animals, and microorganisms continue to play a vital role in drug discovery, offering unique structures and mechanisms of action that are often difficult to replicate synthetically.

In Vivo Imaging in Drug Discovery (Jesper L. Kristensen and Matthias M. Herth)
In vivo imaging techniques, such as positron emission tomography (PET) and magnetic resonance imaging (MRI), provide valuable insights into drug distribution, target engagement, and efficacy in living organisms. This chapter explores how these techniques are used to monitor drug behavior in real time and to assess the biological effects of new drug candidates.

Peptide and Protein Drug Design (Jesper Lau and Søren Østergaard)
This section focuses on the design of peptide- and protein-based drugs. Peptides and proteins are increasingly used as therapeutics due to their high specificity and potency. The chapter discusses strategies for stabilizing peptides and proteins, enhancing their bioavailability, and reducing their susceptibility to degradation in the body.

Prodrugs in Drug Design and Development (Jarkko Rautio and Krista Laine)
Prodrugs are chemically modified versions of drugs that are inactive until metabolized within the body. This chapter explains how prodrugs are designed to improve the pharmacokinetic and pharmacodynamic properties of drugs, such as increasing solubility, enhancing absorption, and reducing toxicity.

Enzyme Inhibitors: Biostructure- and Mechanism-Based Design (Robert A. Copeland and P. Ann Boriack-Sjodin)
Enzyme inhibitors are a key class of drugs that work by blocking the activity of specific enzymes. This chapter discusses the design of enzyme inhibitors based on the enzyme’s structure and mechanism of action, highlighting examples of successful enzyme-targeted drugs used in various therapeutic areas.

Receptors: Structure, Function, and Pharmacology (Hans Bräuner-Osborne)
Receptors are proteins that play a crucial role in cellular signaling and are common targets for drug development. This section provides an overview of receptor structure and function, as well as how drugs can modulate receptor activity to treat diseases.

Ion Channels: Structure and Function (Søren-Peter Olesen, Bo Hjorth Bentzen, and Daniel B. Timmermann)
Ion channels regulate the flow of ions across cell membranes and are involved in numerous physiological processes. This chapter covers the structure and function of ion channels, their role in disease, and how drugs targeting ion channels can be designed for therapeutic purposes.

Neurotransmitter Transporters: Structure, Function, and Drug Binding (Claus J. Løland and Ulrik Gether)
Neurotransmitter transporters are proteins that regulate the uptake of neurotransmitters in the brain. Drugs targeting these transporters are used to treat various neurological and psychiatric disorders. This chapter explores the structure and function of neurotransmitter transporters and how drugs are designed to modulate their activity.

GABA and Glutamic Acid Receptor and Transporter Ligands (Bente Frølund and Lennart Bunch)
This section focuses on ligands that target GABA and glutamate receptors and transporters, which play key roles in inhibitory and excitatory neurotransmission in the brain. Drugs that modulate these systems are important in the treatment of conditions such as epilepsy, anxiety, and neurodegenerative diseases.

Acetylcholine (Anders A. Jensen)
Acetylcholine is a neurotransmitter involved in both the central and peripheral nervous systems. This chapter discusses drugs that target acetylcholine receptors, which are used to treat conditions such as Alzheimer’s disease and myasthenia gravis.

Histamine Receptors (Iwan de Esch, Henk Timmerman, and Rob Leurs)
Histamine receptors are involved in allergic responses and inflammation. This chapter explores the pharmacology of histamine receptors and the design of drugs that modulate these receptors, such as antihistamines.

Dopamine and Serotonin (Benny Bang-Andersen, Lena Tagmose, and Klaus P. Bøgesø)
Dopamine and serotonin are neurotransmitters involved in mood regulation, and drugs targeting their receptors are used to treat psychiatric disorders like depression and schizophrenia. This section covers the structure and function of these receptors and how drugs are designed to affect their activity.

Opioid and Cannabinoid Receptors (Rasmus P. Clausen and Harald S. Hansen)
Opioid and cannabinoid receptors are involved in pain regulation and other physiological processes. This chapter discusses drugs that target these receptors, such as opioid analgesics and cannabinoid-based therapies.

Neglected Diseases (Søren B. Christensen and Ib C. Bygbjerg)
Neglected diseases primarily affect populations in developing countries and receive less attention from the pharmaceutical industry. This chapter highlights efforts to develop drugs for diseases such as malaria, tuberculosis, and neglected tropical diseases.

Anticancer Agents (Fredrik Björkling, José Moreira, and Jan Stenvang)
This section focuses on the design and development of anticancer drugs, discussing various strategies for targeting cancer cells while minimizing damage to healthy tissues.

Targeting Receptor Tyrosine Kinases (Bo Falck Hansen and Steen Gammeltoft)
Receptor tyrosine kinases are enzymes that play a key role in cell signaling and are often dysregulated in cancer. This chapter covers the development of drugs that target receptor tyrosine kinases, which are used in cancer treatment.

Antibiotics (Smitha Rao C.V., Piet Herdewijn, and Anastassios Economou)
Antibiotics are drugs that target bacterial infections. This chapter discusses the mechanisms of antibiotic action, challenges in combating antibiotic resistance, and the design of new antibiotics to overcome resistance mechanisms.

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