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This detailed volume examines computer-aided drug discovery (CADD), a crucial component of modern drug discovery programs that is widely utilized to identity and optimize bioactive compounds for the development of new drugs.

This collection provides detailed information on current advances in analytical methods and strategies employed for monitoring and discovering a wide range of novel psychoactive substances (NPS) in clinical and forensic laboratories. The main classes of NPS in terms of prevalence include synthetic cannabinoids, synthetic cathinones, synthetic opioids, and designer or synthetic benzodiazepines, and this book explores selecting the appropriate sample matrix and analytical testing approaches for laboratories faced with NPS drug testing, such as in blood, urine, saliva, and hair. Written for the Methods in Pharmacology and Toxicology series, chapters in this volume feature the kind of detailed implementation advice from the experts that leads to successful results in the lab. Authoritative and practical, Methods for Novel Psychoactive Substance Analysis serves as an ideal guide for forensic and clinical toxicologists, pharmacologists and chemists in academic and research settings, as well as for private laboratories seeking to increase our ability to test for these substances.@font-face {font-family:"e;Cambria Math"e;; panose-1:2 4 5 3 5 4 6 3 2 4; mso-font-charset:0; mso-generic-font-family:roman; mso-font-pitch:variable; mso-font-signature:-536869121 1107305727 33554432 0 415 0;}@font-face {font-family:Calibri; panose-1:2 15 5 2 2 2 4 3 2 4; mso-font-charset:0; mso-generic-font-family:swiss; mso-font-pitch:variable; mso-font-signature:-469750017 -1073732485 9 0 511 0;}p.MsoNormal, li.MsoNormal, div.MsoNormal {mso-style-unhide:no; mso-style-qformat:yes; mso-style-parent:"e;"e;; margin:0cm; mso-pagination:widow-orphan; font-size:12.0pt; mso-bidi-font-size:11.0pt; font-family:"e;Times New Roman"e;,serif; mso-fareast-font-family:Calibri; mso-fareast-theme-font:minor-latin; mso-bidi-font-family:"e;Times New Roman"e;; mso-bidi-theme-font:minor-bidi; mso-ansi-language:EN-US; mso-fareast-language:EN-US;}.MsoChpDefault {mso-style-type:export-only; mso-default-props:yes; mso-bidi-font-size:11.0pt; mso-fareast-font-family:Calibri; mso-fareast-theme-font:minor-latin; mso-bidi-font-family:"e;Times New Roman"e;; mso-bidi-theme-font:minor-bidi; mso-ansi-language:EN-US; mso-fareast-language:EN-US;}div.WordSection1 {page:WordSection1;}

This detailed volume examines the complex study of the assessment of in situ bioavailability and toxicity of organic chemicals in aquatic systems with a toolbox of reliable techniques. Beginning with a section on approaches for chemical analytical and bioanalytical techniques in bioavailability research, the book continues with methods to monitor effects in situ and conduct bioassays to assess the effects of complex environmental samples. It concludes with descriptions of various computational models. Written for the Methods in Pharmacology and Toxicology series, chapters feature the kind of expert implementation advice that leads to greater success in the field. Authoritative and versatile, In Situ Bioavailability and Toxicity of Organic Chemicals in Aquatic Systems serves as an ideal guide to aid in tackling the challenge of analyzing and understanding chemical pollution in aquatic systems.

Part I: Small Molecules 1. Measurement of Transcellular Transport Rates and Intracellular Drug Sequestration in the Presence of an Extracellular Concentration Gradient            Kyoung Ah Min and Gus R. Rosania 2. Kinetic Design for Establishing Long Term Stationary Cytosol Concentrations during Drug Transport across P-gp Expressing Confluent Cell Monolayers to Facilitate Measuring Cytosol Concentration, Fitting Drug Molar Partition Coefficients into the Cytosolic Monolayer of the Plasma Membrane and Kinetically Identifying Drug Uptake Transporters            Joe Bentz 3. In Vitro Methodologies to Assess Potential for Transporter-Mediated Drug-Drug Interactions            Jibin Li, Qing Wang, and Ismael J. Hidalgo 4. Determination of Fraction Unbound and Unbound Partition Coefficient to Estimate Intracellular Free Drug Concentration            Sangwoo Ryu, Keith Riccardi, Samantha Jordan, Nathaniel Johnson, and Li Di 5. Quantitative Analysis of Intracellular Drug Concentrations in Hepatocytes            Chitra Saran, James J. Beaudoin, Nathan D. Pfeifer, and Kim L.R. Brouwer 6. Quantification of Intracellular Drug Aggregates and Precipitates            Phillip Rzeczycki and Gus R. Rosania 7. Quantitative Phenotypic Analysis of Drug Sequestering Macrophage Subpopulations            Mikhail D. Murashov 8. Using an Integrated QSAR Model to Check Whether Small-Molecule Xenobiotics Will Accumulate in Biomembranes, with Particular Reference to Fluorescent Imaging Probes            Richard W. Horobin and Juan C. Stockert 9. Diversity-Oriented Fluorescence Library Approach (DOFLA) for Discovery of Cell-Permeable Probes for Applications in Live Cell Imaging            Dongdong Su and Young-Tae Chang Part II: Macromolecules, Biologics, and Nanoparticles 10. Overcoming Cellular and Systemic Barriers to Design the Next Wave of Peptide Therapeutics            Jerome Hochman, Tomi Sawyer, and Ruchia Duggal 11. Intracellular Targeting of Cyclotides for Therapeutic Applications            Nicole Lawrence and David J. Craik 12. Cellular Trafficking of Monoclonal and Bispecific Antibodies            John J. Rhoden and Christopher M. Wiethoff 13. Quantitative Drug Target Imaging Using Paired-Agent Principles            Kenneth M. Tichauer, Negar Sadeghipour, Yu "Winston" Wang, Summer L. Gibbs, Jonathan T.C. Liu, and Kimberley S. Samkoe 14. Quantitative Determination of Intracellular Bond Cleavage            Joshua A. Walker, Michelle R. Sorkin, and Christopher A. Alabi 15. Development and Application of a Single Cell-Level PK-PD Model for ADCs 

This detailed volume explores practical procedures on the identification and quantification of pesticides in a variety of samples. Chapters guide the reader through methods and protocols for the extraction of pesticides from biological and non-biological samples, pitfalls in dosing techniques and structures identification, and also provide an overview of the problems that these pesticides cause in human populations. As part of the Methods in Pharmacology and Toxicology series, chapters include introductions to their respective topics, lists of reagents and materials, step-by-step guides and reproducible lab protocols, as well as valuable tips on addressing common problems and avoiding known pitfalls. Authoritative and practical, Pesticide Toxicology is an ideal reference for academia, analysts, toxicologists, environmentalists, and health and industry professionals aiming to understand the associated risks and to limit the use of these substancesand minimize their potential damage to human health and the environment.

This essential volume explores a variety of tools and protocols of structure-based (homology modeling, molecular docking, molecular dynamics, protein-protein interaction network) and ligand-based (pharmacophore mapping, quantitative structure-activity relationships or QSARs) drug design for ranking and prioritization of candidate molecules in search of effective treatment strategy against coronaviruses. Beginning with an introductory section that discusses coronavirus interactions with humanity and COVID-19 in particular, the book then continues with sections on tools and methodologies, literature reports and case studies, as well as online tools and databases that can be used for computational anti-coronavirus drug research. Written for the Methods in Pharmacology and Toxicology series, chapters include the kind of practical detail and implementation advice that ensures high quality results in the lab. Comprehensive and timely, In Silico Modeling ofDrugs Against Coronaviruses: Computational Tools and Protocols is an ideal reference for researchers working on the development of novel anti-coronavirus drugs for SARS-CoV-2 and for coronaviruses that will likely appear in the future.

This collection explores detailed experimental protocols necessary for setting up a variety of in vitro cytochrome P450 (CYP) assays that are vital in selecting drug candidates in a drug discovery pipeline. Major factors affecting drug metabolism include CYP expression levels, kinetic parameters for individual CYP enzymes, CYP inhibition and induction, time-dependent inhibition (TDI), CYP stability, non-CYP stability, UDP-glucuronosyltransferases (UGT) stability, excretion mechanisms, and drug-drug interactions (DDI), all addressed in this volume. Written for the Methods in Pharmacology and Toxicology series, chapters include helpful background information on the in vitro assay, a list of all the materials, reagents, and equipment necessary to carry out the assay, a step-by-step protocol, notes containing common and unexpected experimental problems in the assay, as well as references containing important supplementary reading. Authoritativeand practical, Cytochrome P450: In Vitro Methods and Protocols serves as a key guide for researchers in the area of discovery and development of new medicines.

This volume presents a broad compendium of techniques used in biodegradation and toxicological research. Through both legacy and up-to-date approaches to practical methodologies with proven results, the book examines the role and applications of analytical biodegradation quantification as it applies to the environmental sciences, particularly in the range of byproducts that are usually linked to toxicology, and the test organisms most often used in toxicity testing. Topics include scientific and technical feasibility studies, contaminant impacts evaluation, study design and analytical techniques, key methodologies required to prepare the biodegradation and toxicology protocols, as well as the handling of microbial communities related to such processes. Written for the Methods in Pharmacology and Toxicology series, chapters deal with a critical discussion of laboratory scale experiments, as well as full scale in situ and ex situ apparatus, with each chapter containing both a discursive section along with a detailed methods section. Detailed and authoritative, Toxicity and Biodegradation Testing is primarily focused toward the environmental sciences researcher, while the range of techniques also provides an introduction to biodegradation and toxicology methods for researchers outside of the field.

This meticulous volume covers metabolism and drug-drug interactions during pregnancy, critical periods of developmental toxicology, in vivo and alternative methods to assess potential developmental toxicity for drugs and chemicals, and effects of chemicals on testes and mammary glands.

Given the stringent quality control of herbal medicine such as Kampo and reproducibility of preclinical findings, together with overall fewer adverse events, its attractiveness continues to rise, and multi-component herbal medicine capable of targeting multiple sites can be useful for future drug discovery.

The main topics are high-throughput and targeted methods for DNA methylation analysis, nucleosome position mapping, studying epigenetic effects of gut microbiota, optical imaging for detection of epigenetic aberrations in living cells, methods for microRNA, and histone code profiling.

Written for the Methods in Pharmacology and Toxicology series, the contents of this book aim to enable adoption of these protocols in laboratories that are interested in entering the field as well as to facilitate the transfer of best practices between laboratories that are already actively pursuing these technologies.

This thorough volume delves into antiepileptic drug discovery with a comprehensive collection of innovative approaches for the development of antiepileptic therapies, focusing on novel molecular targets for antiepileptic drugs, computer-aided approaches for the identification of new drug candidates, and therapeutic strategies to overcome refractory epilepsy. The last section illustrates the potential benefits that network pharmacology and rational drug repurposing could bring to the antiepileptic drug discovery community. Written for the Methods in Pharmacology and Toxicology series, chapters include the kind of detailed description and implementation advice to ensure results in the laboratory. Authoritative and practical, Antiepileptic Drug Discovery: Novel Approaches aims to provide medicinal chemists, pharmacologists, and other researchers with the tools need to further explore the study of pharmacoresistant epilepsy and the discovery of new antiepileptic drugs.

This collection explores up-to-date descriptions of known G protein-coupled receptor kinase (GRK)-dependent mechanisms, both associated with G protein-coupled receptor (GPCR) functions and the receptor-independent.

Covering ocular pharmacokinetics, pharmacodynamics, and toxicology, Ocular Pharmacology and Toxicology provides ophthalmologists, toxicologists, and pharmacologists with both an introduction to the proper methods for ocular pharmacology and toxicology as well as providing practical methodologies for conducting ocular studies.

This detailed volume provides a single, valuable reference source formethods that definitively identify and accurately quantify apoptosis. Itcontinues with multi-parametric and phased apoptosis assays for detecting earlyand late apoptosis or distinguishing apoptosis from necrosis and autophagy.

With a focus on Alzheimer's disease, the firstsections of the book examine immunotherapeutic approaches for theaforementioned disease as well as for Parkinson's disease and Huntington's disease,amongst others.

This text offers state of the art contributions written by world renown experts which provide an extensive background on specific classes of antibiotics and summarize our understanding as to how these antibiotics might be optimally used in a clinical situation.

This detailed book showcases recent advances in computational design of multi-target drug candidates involving various ligand and structure-based strategies.

This book illustrates the current state-of-the-art in histamine research, with a focus on the appropriate methodologies to investigate the pharmacological properties and the therapeutic exploitation of HRs and their ligands. In addition, the range of techniques described provides an introduction to complementary cross-methodological disciplines beyond these fields. This multi-disciplinary approach is required to define the ΓÇÿdecision gatesΓÇÖ that determine the development of more effective and safer therapeutic options for many forms of highly prevalent and debilitating diseases, such as asthma, dementias, dermatitis, and arthritis. Written for the Methods in Pharmacology and Toxicology series, chapters concentrate on practical, hands-on protocols from experts in the techniques.Authoritative and thorough, Histamine Receptors as Drug Targets seeks to aid pharmacologists, biochemists, drug discovery researchers, molecular biologists, chemists, toxicologists, lab scientists, medical doctors, principle investigators, research scientists, lab directors and technicians, as well as graduate students around the world in pursuing the study of this vital scientific area.

Recent findings have implied a distinct therapeutic potential for drugs targeting Transient Receptor Potential (TRP) channels in a wide variety of diseases, many with no existing satisfactory treatment options.

Vital to academic researchers, the medical field, and especially to biotech and pharmaceutical scientists, metabolomics is a rapidly expanding field that will provide a key link between functional biology (phenotypes) and the inner workings of cells in tissues or whole organisms.

This thorough volume aims to provide pharmaceutical engineers with an introduction to the current state of the art in modeling and simulation of pharmaceutical processes and to summarize a number of practical applications of relevant methodologies in drug product development.

Divided into four sections, it explores inorganic nanomaterials, organic nanomaterials, pharmaceutical properties of nanomaterials, and applications of nanomaterials in medicine.

Genotoxicity and DNA Repair: A Practical Approach provides a key reference for determining how to analyze the genotoxic activity of molecules or materials and, at the same time, serves as a useful tool for researchers in the Environmental Mutagenesis and DNA Repair fields.

In Vitro Toxicology Systems brings together important issues and considerations needed in order to develop a workable, reliable, integrated testing strategy for the replacement of animals in toxicity testing regimes.

Vital to academic researchers, the medical field, and especially to biotech and pharmaceutical scientists, metabolomics is a rapidly expanding field that will provide a key link between functional biology (phenotypes) and the inner workings of cells in tissues or whole organisms.

This detailed volume collects numerous methods and protocols related to different aspects of stability programs that are followed in pharmaceutical development laboratories.