Virtual ADMET assessment in target selection and maturation / edited by B. Testa and L. Turski.

Format:

Book

Contributor:

Testa, Bernard.

Turski, Lechoslaw.

Series:

Solvay Pharmaceuticals Conferences ; v. 6.

Solvay Pharmaceuticals Conferences, 1566-7685 ; v. 6

Language:

English

Subjects (All):

Drug development--Computer simulation--Congresses.

Drug development.

Pharmacology.

Physical Description:

1 online resource (268 p.)

Edition:

1st ed.

Place of Publication:

Amsterdam ; Washington, DC : IOS Press, c2006.

Language Note:

English

Summary:

Today, biologists and medicinal chemists realize that there is a strong relationship between pharmacodynamic (what the drug does to the organism) and pharmacokinetic (what the organism does to the drug) effects. A significant contributing factor to the evolution in drug discovery was the methodological and technological revolution with the advent of combinatorial chemistry, high-throughput screening and profiling, and in silico prediction of target-based activity and ADMET (absorption, distribution, metabolism, excretion and toxicity) properties. High-throughput screening and in silico methods

Contents:

Preface; List of Contributors; Contents; Conference Preface; The Risky Business of Developing Drugs; Benefits and Limits of in Silico Predictions; Musings on ADME Predictions and Molecular Structure; Lipophilicity: Its Calculation and Application in ADMET Predictions; Interpretation of the Role of the Electrotopological State and Molecular Connectivity Indices in the Prediction of Physical Properties and ADME-Tox Behavior - Case Study: Human Plasma Protein Binding; Molecular Descriptors for Predicting ADMET Properties; Molecular Fields to Assess Recognition Forces and Property Spaces

Extracting Pharmacophores from Bio-Active MoleculesIn Silico Models for Human Bioavailability; In Silico Models to Predict Brain Uptake; Algorithms to Predict Affinity for Transporters; Predicting Affinity for and Metabolism by Cytochromes P450; Expert Systems to Predict Biotransformation; Expert Systems to Predict Toxicity; From in Vivo to in Vitro/in Silico ADME: Progress and Challenges; Author Index

Notes:

Organized May 11-13th, 2005 in Lucerne, Switzerland.

Includes bibliographical references and index.

ISBN:

1-280-81056-4

9786610810567

1-4294-6772-X

1-60750-219-4

600-00-0604-7

1-4337-0155-3

OCLC:

491261273