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At a time when pharmaceutical companies have limited resources to develop newer and better drugs, they must continually evaluate the effectiveness and efficiency of their research and development process. This volume focuses on how to increase the efficiency of drug discovery and development. Written by experienced discovery scientists from diverse disciplines, including chemistry, drug metabolism, and development sciences, it details in silico, in vitro, and in vivo tools for prediction, measurement, and application of compound properties to select and improve potential drug candidates.
List of contents
Absorption Prediction.- Predicting Molecular Physical Properties.- In Silico Transporter Modeling and Its Application in Drug Discovery.- Models for Cytochrome P450-Mediated Metabolism.- Future of In Silico Methods in Toxicology.- Solubility in Water and DMSO: Issues and Potential Solutions.- Measurements of Lipophilicity and Acid/Base Character Using HPLC Methods.- How Do We Study Oxidative Chemical Stability in Discovery? Some Ideas, Trials, and Outcomes.- Physiochemical Methods for Estimating Permeability and Related Properties.- Cultured Epithelial Cell Assays Used to Estimate Intestinal Absorption Potential.- In Vitro Cell-based Assays for Estimating the Effects of Efflux Transporters on Cell Permeation.- In Vitro Models for Estimating Hepatobiliary Clearance.- Challenges in Drug Discovery: Lead Optimization and Prediction of Human Pharmacokinetics.- Free Drug! The Critical Importance of Plasma Protein Binding in NewDrug Discovery.- Use of In Vitro ADME Screens to Develop Orally Bioavailable and CNS-Permeable Neuropeptide Y Y5 Antagonists.- Applying Computational and In Vitro Approaches to Lead Selection.- Strategies for In Silico and Experimental Screening of Physiochemical Properties.- The Challenge of Quality in Candidate Optimization.- A Comprehensive Strategy for ADME Screening in Drug Discovery.- Scientific, Educational, and Communication Issues Associated with Integrating and Applying Drug-Like Properties in Drug Discovery.
Summary
At a time when pharmaceutical companies have limited resources to develop newer and better drugs, they must continually evaluate the effectiveness and efficiency of their research and development process. This volume focuses on how to increase the efficiency of drug discovery and development. Written by experienced discovery scientists from diverse disciplines, including chemistry, drug metabolism, and development sciences, it details in silico, in vitro, and in vivo tools for prediction, measurement, and application of compound properties to select and improve potential drug candidates.
