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

• Pubblicazione: Amsterdam ; ; Washington, DC, : IOS Press, c2006
• Descrizione fisica: 1 online resource (268 p.)
• Disciplina: 615/.190285
• Soggetto topico: Drug development - Computer simulation; Pharmacology
• Altri autori: TestaBernard TurskiLechoslaw
• Note generali: Organized May 11-13th, 2005 in Lucerne, Switzerland.
• Nota di bibliografia: Includes bibliographical references and index.
• Nota di contenuto: 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
• Sommario/riassunto: 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
• Titolo autorizzato: Virtual ADMET assessment in target selection and maturation
• ISBN: 1-280-81056-4; 9786610810567; 1-4294-6772-X; 1-60750-219-4; 600-00-0604-7; 1-4337-0155-3
• Formato: Materiale a stampa
• Livello bibliografico: Monografia
• Lingua di pubblicazione: Inglese
• Record Nr.: 9910784251903321
• Lo trovi qui: Univ. Federico II
• Serie: Solvay Pharmaceuticals Conferences ; ; v. 6.