Molecular Evolutionary Models in Drug Discovery

Molecular Evolutionary Models in Drug Discovery
Author: Juan Bueno
Publsiher: Academic Press
Total Pages: 192
Release: 2020-01-22
ISBN 10: 0128189290
ISBN 13: 9780128189290
Language: EN, FR, DE, ES & NL

Molecular Evolutionary Models in Drug Discovery Book Review:

Molecular Evolutionary Models in Drug Discovery explores the application of evolutionary molecular models in drug discovery in which secondary metabolites play a fundamental role. Secondary metabolites are not produced in isolation, they are the result of the interaction of genes, metabolism and the environment. The book examines the role of secondary metabolites as leads in drug discovery and on the development of a rational bioprospecting model for new medicines based on the evolution of secondary metabolism. These evolutionary models are part of biological systems and are the most reliable expression of the functioning of living beings. Examines the integration and application of evolutionary models in the pharmaceutical industry to create new drug development platforms Investigates the biotechnological prospecting of secondary metabolites and their potential use in the discovery of new drugs Evaluates the ecosystem of living beings and how its molecular adaptation might improve the success of therapies

Preclinical Evaluation of Antimicrobial Nanodrugs

Preclinical Evaluation of Antimicrobial Nanodrugs
Author: Juan Bueno
Publsiher: Springer Nature
Total Pages: 117
Release: 2020-05-08
ISBN 10: 3030438554
ISBN 13: 9783030438555
Language: EN, FR, DE, ES & NL

Preclinical Evaluation of Antimicrobial Nanodrugs Book Review:

Translational medicine addresses the gap between research and the clinical application of new discoveries. To efficiently deliver new drugs to care centers, a preclinical evaluation, both in vitro and in vivo, is required to ensure that the most active and least toxic compounds are selected as well as to predict clinical outcome. Antimicrobial nanomedicines have been shown to have higher specificity in their therapeutic targets and the ability to serve as adjuvants, increasing the effectiveness of pre-existing immune compounds. The design and development of new standardized protocols for evaluating antimicrobial nanomedicines is needed for both the industry and clinical laboratory. These protocols must aim to evaluate laboratory activity and present models of pharmacokinetic-pharmacodynamic and toxicokinetic behavior that predict absorption and distribution. Likewise, these protocols must follow a theranostics approach, be able to detect promising formulations, diagnose the infectious disease, and determine the correct treatment to implement a personalized therapeutic behavior. Given the possibilities that nanotechnology offers, not updating to new screening platforms is inadequate as it prevents the correct application of discoveries, increasing the effect of the valley of death between innovations and their use. This book is structured to discuss the fundamentals taken into account for the design of robust, reproducible and automatable evaluation platforms. These vital platforms should enable the discovery of new medicines with which to face antimicrobial resistance (RAM), one of the great problems of our time.

Evolutionary Diversity as a Source for Anticancer Molecules

Evolutionary Diversity as a Source for Anticancer Molecules
Author: Akhileshwar Kumar Srivastava,Vinod Kumar Kannaujiya,Rajesh Kumar Singh,Divya Singh
Publsiher: Academic Press
Total Pages: 390
Release: 2020-09-30
ISBN 10: 0128216980
ISBN 13: 9780128216989
Language: EN, FR, DE, ES & NL

Evolutionary Diversity as a Source for Anticancer Molecules Book Review:

Evolutionary Diversity as a Source for Anticancer Molecules discusses evolutionary diversity as source for anticancer agents derived from bacteria, algae, bryophytes, pteridophytes, and gymnosperms. The book goes over the isolation of anticancer agents and the technologyenabled screening process used to develop anticancer drugs. The book also includes discussion of the nutraceuticals and natural products derived from invertebrates that can be used as part of cancer treatment. Evolutionary Diversity as a Source for Anticancer Molecules also deals with some of the current challenges in the prevention of cancer as well as the side effects of conventional drugs used for cancer patients. This book is a valuable resource for cancer researchers, oncologists, biotechnologists, pharmacologists, and any member of the biomedical field interested in understanding more about natural products with anticancer potential. Discusses the application of natural products in place of conventional drugs to minimize the side effects in cancer treatment Explains the relation between evolutionary mechanisms and climate change for production of secondary metabolites

Concepts and Experimental Protocols of Modelling and Informatics in Drug Design

Concepts and Experimental Protocols of Modelling and Informatics in Drug Design
Author: Om Silakari,Pankaj Kumar Singh
Publsiher: Academic Press
Total Pages: 396
Release: 2020-11-05
ISBN 10: 0128205474
ISBN 13: 9780128205471
Language: EN, FR, DE, ES & NL

Concepts and Experimental Protocols of Modelling and Informatics in Drug Design Book Review:

Concepts and Experimental Protocols of Modelling and Informatics in Drug Design discusses each experimental protocol utilized in the field of bioinformatics, focusing especially on computer modeling for drug development. It helps the user in understanding the field of computer-aided molecular modeling (CAMM) by presenting solved exercises and examples. The book discusses topics such as fundamentals of molecular modeling, QSAR model generation, protein databases and how to use them to select and analyze protein structure, and pharmacophore modeling for drug targets. Additionally, it discusses data retrieval system, molecular surfaces, and freeware and online servers. The book is a valuable source for graduate students and researchers on bioinformatics, molecular modeling, biotechnology and several members of biomedical field who need to understand more about computer-aided molecular modeling. Presents exercises with solutions to aid readers in validating their own protocol Brings a thorough interpretation of results of each exercise to help readers compare them to their own study Explains each parameter utilized in the algorithms to help readers understand and manipulate various features of molecules and target protein to design their study

Molecular Genetic Medicine

Molecular Genetic Medicine
Author: Theodore Friedmann
Publsiher: Unknown
Total Pages: 184
Release: 1992
ISBN 10: 9780124620032
ISBN 13: 0124620035
Language: EN, FR, DE, ES & NL

Molecular Genetic Medicine Book Review:

Successful Drug Discovery

Successful Drug Discovery
Author: János Fischer,Christian Klein,Wayne E. Childers
Publsiher: John Wiley & Sons
Total Pages: 272
Release: 2019-10-07
ISBN 10: 3527344683
ISBN 13: 9783527344680
Language: EN, FR, DE, ES & NL

Successful Drug Discovery Book Review:

Provides unique insider insight into the current drug development process, and what it takes to achieve success In this fourth volume in the series, inventors and primary developers of drugs that made it to the market continue telling the story of the drugs? discovery and development, and discuss the sometimes twisted route from the first drug candidate molecule to the final marketed one. Beginning with a general section addressing overarching topics for drug discovery, the book offers seven chapters that feature selected case studies describing recently introduced drugs or drug classes. These include small molecule drugs as well as biopharmaceuticals and range across different therapeutic fields. Together, they provide a representative cross-section of the present-day drug development effort. Successful Drug Discovery: Volume 4 covers trends in peptide-based drug discovery and the physicochemical properties of recently approved oral drugs. The section on drug class studies looks at antibody-drug conjugates and the discovery, evolution, and therapeutic potential of dopamine partial agonists. Featured case studies examine the discovery of Etelcalcetide for the treatment of secondary hyper-parathyroidism in patients with chronic kidney disease; the development of Lenvatinib Mesylate; the discovery and development of Venetoclax; and more. -Focuses on recently introduced drugs that have not been featured in any textbooks or general references, including Ocrelizumab, a new generation of anti-CD-20 mAb for the treatment of multiple sclerosis, and Venetoclax, a selective antagonist of BCL-2 -Features personal experiences of successful drug developers from industry and academia -Endorsed and supported by the International Union of Pure and Applied Chemistry (IUPAC) Successful Drug Discovery: Volume 4 provides a fascinating and informative look into the process of drug discovery and would be a great reference for those in the pharmaceutical industry, organic and pharmaceutical chemists, and lecturers in pharmacy.

Improving and Accelerating Therapeutic Development for Nervous System Disorders

Improving and Accelerating Therapeutic Development for Nervous System Disorders
Author: Institute of Medicine,Board on Health Sciences Policy,Forum on Neuroscience and Nervous System Disorders
Publsiher: National Academies Press
Total Pages: 118
Release: 2014-02-06
ISBN 10: 0309292492
ISBN 13: 9780309292498
Language: EN, FR, DE, ES & NL

Improving and Accelerating Therapeutic Development for Nervous System Disorders Book Review:

Improving and Accelerating Therapeutic Development for Nervous System Disorders is the summary of a workshop convened by the IOM Forum on Neuroscience and Nervous System Disorders to examine opportunities to accelerate early phases of drug development for nervous system drug discovery. Workshop participants discussed challenges in neuroscience research for enabling faster entry of potential treatments into first-in-human trials, explored how new and emerging tools and technologies may improve the efficiency of research, and considered mechanisms to facilitate a more effective and efficient development pipeline. There are several challenges to the current drug development pipeline for nervous system disorders. The fundamental etiology and pathophysiology of many nervous system disorders are unknown and the brain is inaccessible to study, making it difficult to develop accurate models. Patient heterogeneity is high, disease pathology can occur years to decades before becoming clinically apparent, and diagnostic and treatment biomarkers are lacking. In addition, the lack of validated targets, limitations related to the predictive validity of animal models - the extent to which the model predicts clinical efficacy - and regulatory barriers can also impede translation and drug development for nervous system disorders. Improving and Accelerating Therapeutic Development for Nervous System Disorders identifies avenues for moving directly from cellular models to human trials, minimizing the need for animal models to test efficacy, and discusses the potential benefits and risks of such an approach. This report is a timely discussion of opportunities to improve early drug development with a focus toward preclinical trials.

Basic Principles of Drug Discovery and Development

Basic Principles of Drug Discovery and Development
Author: Benjamin E. Blass
Publsiher: Academic Press
Total Pages: 712
Release: 2021-05-25
ISBN 10: 0128172150
ISBN 13: 9780128172155
Language: EN, FR, DE, ES & NL

Basic Principles of Drug Discovery and Development Book Review:

Basic Principles of Drug Discovery and Development presents the multifaceted process of identifying a new drug in the modern era, which requires a multidisciplinary team approach with input from medicinal chemists, biologists, pharmacologists, drug metabolism experts, toxicologists, clinicians, and a host of experts from numerous additional fields. Enabling technologies such as high throughput screening, structure-based drug design, molecular modeling, pharmaceutical profiling, and translational medicine are critical to the successful development of marketable therapeutics. Given the wide range of disciplines and techniques that are required for cutting edge drug discovery and development, a scientist must master their own fields as well as have a fundamental understanding of their collaborator’s fields. This book bridges the knowledge gaps that invariably lead to communication issues in a new scientist’s early career, providing a fundamental understanding of the various techniques and disciplines required for the multifaceted endeavor of drug research and development. It provides students, new industrial scientists, and academics with a basic understanding of the drug discovery and development process. The fully updated text provides an excellent overview of the process and includes chapters on important drug targets by class, in vitro screening methods, medicinal chemistry strategies in drug design, principles of in vivo pharmacokinetics and pharmacodynamics, animal models of disease states, clinical trial basics, and selected business aspects of the drug discovery process. Provides a clear explanation of how the pharmaceutical industry works, as well as the complete drug discovery and development process, from obtaining a lead, to testing the bioactivity, to producing the drug, and protecting the intellectual property Includes a new chapter on the discovery and development of biologics (antibodies proteins, antibody/receptor complexes, antibody drug conjugates), a growing and important area of the pharmaceutical industry landscape Features a new section on formulations, including a discussion of IV formulations suitable for human clinical trials, as well as the application of nanotechnology and the use of transdermal patch technology for drug delivery Updated chapter with new case studies includes additional modern examples of drug discovery through high through-put screening, fragment-based drug design, and computational chemistry

Ancestral Sequence Reconstruction

Ancestral Sequence Reconstruction
Author: David A Liberles
Publsiher: Oxford University Press on Demand
Total Pages: 252
Release: 2007-05-31
ISBN 10: 0199299188
ISBN 13: 9780199299188
Language: EN, FR, DE, ES & NL

Ancestral Sequence Reconstruction Book Review:

Ancestral sequence reconstruction is a technique of growing importance in molecular evolutionary biology and comparative genomics. As a powerful tool for testing evolutionary and ecological hypotheses, as well as uncovering the link between sequence and molecular phenotype, there are potential applications in a range of fields.Ancestral Sequence Reconstruction starts with a historical overview of the field, before discussing the potential applications in drug discovery and the pharmaceutical industry. This is followed by a section on computational methodology, which provides a detailed discussion of the available methods for reconstructing ancestral sequences (including their advantages, disadvantages, and potential pitfalls). Purely computational applications of the technique are then covered, including wholeproteome reconstruction. Further chapters provide a detailed discussion on taking computationally reconstructed sequences and synthesizing them in the laboratory. The book concludes with a description of the scientific questions where experimental ancestral sequence reconstruction has been utilized toprovide insights and inform future research.This research level text provides a first synthesis of the theories, methodologies and applications associated with ancestral sequence recognition, while simultaneously addressing many of the hot topics in the field. It will be of interest and use to both graduate students and researchers in the fields of molecular biology, molecular evolution, and evolutionary bioinformatics.

Improving the Utility and Translation of Animal Models for Nervous System Disorders

Improving the Utility and Translation of Animal Models for Nervous System Disorders
Author: Institute of Medicine,Board on Health Sciences Policy,Forum on Neuroscience and Nervous System Disorders
Publsiher: National Academies Press
Total Pages: 110
Release: 2013-04-25
ISBN 10: 0309266335
ISBN 13: 9780309266338
Language: EN, FR, DE, ES & NL

Improving the Utility and Translation of Animal Models for Nervous System Disorders Book Review:

Nervous system diseases and disorders are highly prevalent and substantially contribute to the overall disease burden. Despite significant information provided by the use of animal models in the understanding of the biology of nervous system disorders and the development of therapeutics; limitations have also been identified. Treatment options that are high in efficacy and low in side effects are still lacking for many diseases and, in some cases are nonexistent. A particular problem in drug development is the high rate of attrition in Phase II and III clinical trials. Why do many therapeutics show promise in preclinical animal models but then fail to elicit predicted effects when tested in humans? On March 28 and 29, 2012, the Institute of Medicine Forum on Neuroscience and Nervous System Disorders convened the workshop "Improving Translation of Animal Models for Nervous System Disorders" to discuss potential opportunities for maximizing the translation of new therapies from animal models to clinical practice. The primary focus of the workshop was to examine mechanisms for increasing the efficiency of translational neuroscience research through discussions about how and when to use animal models most effectively and then best approaches for the interpretation of the data collected. Specifically, the workshop objectives were to: discuss key issues that contribute to poor translation of animal models in nervous system disorders, examine case studies that highlight successes and failures in the development and application of animal models, consider strategies to increase the scientific rigor of preclinical efficacy testing, explore the benefits and challenges to developing standardized animal and behavioral models. Improving the Utility and Translation of Animal Models for Nervous System Disorders: Workshop Summary also identifies methods to facilitate development of corresponding animal and clinical endpoints, indentifies methods that would maximize bidirectional translation between basic and clinical research and determines the next steps that will be critical for improvement of the development and testing of animal models of disorders of the nervous system.

Molecular Modeling in Drug Design

Molecular Modeling in Drug Design
Author: Rebecca Wade,Outi Salo-Ahen
Publsiher: MDPI
Total Pages: 220
Release: 2019-03-26
ISBN 10: 3038976148
ISBN 13: 9783038976141
Language: EN, FR, DE, ES & NL

Molecular Modeling in Drug Design Book Review:

Since the first attempts at structure-based drug design about four decades ago, molecular modelling techniques for drug design have developed enormously, along with the increasing computational power and structural and biological information of active compounds and potential target molecules. Nowadays, molecular modeling can be considered to be an integral component of the modern drug discovery and development toolbox. Nevertheless, there are still many methodological challenges to be overcome in the application of molecular modeling approaches to drug discovery. The eight original research and five review articles collected in this book provide a snapshot of the state-of-the-art of molecular modeling in drug design, illustrating recent advances and critically discussing important challenges. The topics covered include virtual screening and pharmacophore modelling, chemoinformatic applications of artificial intelligence and machine learning, molecular dynamics simulation and enhanced sampling to investigate contributions of molecular flexibility to drug–receptor interactions, the modeling of drug–receptor solvation, hydrogen bonding and polarization, and drug design against protein–protein interfaces and membrane protein receptors.

3D QSAR in Drug Design

3D QSAR in Drug Design
Author: Hugo Kubinyi,Gerd Folkers,Yvonne C. Martin
Publsiher: Springer Science & Business Media
Total Pages: 417
Release: 2006-04-11
ISBN 10: 0306468573
ISBN 13: 9780306468575
Language: EN, FR, DE, ES & NL

3D QSAR in Drug Design Book Review:

Significant progress has been made in the study of three-dimensional quantitative structure-activity relationships (3D QSAR) since the first publication by Richard Cramer in 1988 and the first volume in the series. 3D QSAR in Drug Design. Theory, Methods and Applications, published in 1993. The aim of that early book was to contribute to the understanding and the further application of CoMFA and related approaches and to facilitate the appropriate use of these methods. Since then, hundreds of papers have appeared using the quickly developing techniques of both 3D QSAR and computational sciences to study a broad variety of biological problems. Again the editor(s) felt that the time had come to solicit reviews on published and new viewpoints to document the state of the art of 3D QSAR in its broadest definition and to provide visions of where new techniques will emerge or new appli- tions may be found. The intention is not only to highlight new ideas but also to show the shortcomings, inaccuracies, and abuses of the methods. We hope this book will enable others to separate trivial from visionary approaches and me-too methodology from in- vative techniques. These concerns guided our choice of contributors. To our delight, our call for papers elicited a great many manuscripts.

Adaptive Systems in Drug Design

Adaptive Systems in Drug Design
Author: Gisbert Schneider
Publsiher: CRC Press
Total Pages: 169
Release: 2002-10-01
ISBN 10: 149871370X
ISBN 13: 9781498713702
Language: EN, FR, DE, ES & NL

Adaptive Systems in Drug Design Book Review:

A brief history of drug design presented to make clear that there are fashions in this important field and that they change rather rapidly. This is due in part to the fact that the way that a new paradigm is accepted in a drug company often does not depend on its scientific merit alone.

Molecular Evolution

Molecular Evolution
Author: Roderick D.M. Page,Edward C. Holmes
Publsiher: John Wiley & Sons
Total Pages: 352
Release: 2009-07-14
ISBN 10: 1444313363
ISBN 13: 9781444313369
Language: EN, FR, DE, ES & NL

Molecular Evolution Book Review:

The study of evolution at the molecular level has given the subject of evolutionary biology a new significance. Phylogenetic 'trees' of gene sequences are a powerful tool for recovering evolutionary relationships among species, and can be used to answer a broad range of evolutionary and ecological questions. They are also beginning to permeate the medical sciences. In this book, the authors approach the study of molecular evolution with the phylogenetic tree as a central metaphor. This will equip students and professionals with the ability to see both the evolutionary relevance of molecular data, and the significance evolutionary theory has for molecular studies. The book is accessible yet sufficiently detailed and explicit so that the student can learn the mechanics of the procedures discussed. The book is intended for senior undergraduate and graduate students taking courses in molecular evolution/phylogenetic reconstruction. It will also be a useful supplement for students taking wider courses in evolution, as well as a valuable resource for professionals. First student textbook of phylogenetic reconstruction which uses the tree as a central metaphor of evolution. Chapter summaries and annotated suggestions for further reading. Worked examples facilitate understanding of some of the more complex issues. Emphasis on clarity and accessibility.

Computational Molecular Evolution

Computational Molecular Evolution
Author: Ziheng Yang
Publsiher: Oxford University Press
Total Pages: 357
Release: 2006-10-05
ISBN 10: 0198566999
ISBN 13: 9780198566991
Language: EN, FR, DE, ES & NL

Computational Molecular Evolution Book Review:

This book describes the models, methods and algorithms that are most useful for analysing the ever-increasing supply of molecular sequence data, with a view to furthering our understanding of the evolution of genes and genomes.

Current Methods In Medicinal Chemistry And Biological Physics

Current Methods In Medicinal Chemistry And Biological Physics
Author: Carlton A. Taft
Publsiher: Unknown
Total Pages: 275
Release: 2007-01-01
ISBN 10: 9788130801414
ISBN 13: 8130801418
Language: EN, FR, DE, ES & NL

Current Methods In Medicinal Chemistry And Biological Physics Book Review:

This book is aimed at, from students to advanced researchers, for anyone that is interested or works with current experimental and theoretical methods in medicinal chemistry and biological physics, with particular interest in chemoinformatics, bioinformatics, molecular modeling, QSAR, spectrometry, molecular biology and combinatorial chemistry for many therapeutic purposes. This book attempts to convey something of the fascination of working in these multidisciplinary areas, which overlap knowledge of chemistry, physics, biochemistry, biology and pharmacology. It contains 12 chapters, of which six are related to theoretical methods in Medicinal Chemistry, four deal with experimental methods and two discuss theoretical methods in Biological Physics. The role of the medicinal chemist has changed significantly in the past 25 years. From serendipity to rational drug design, much effort has been made in these two decades, with major participation of molecular modeling and QSAR. The insertion of computer-aided drug design technologies to the research and drug discovery approaches of a pharmaceutical company could lead to a reduction of up to 50% in the cost of drug design. In chapter 1, we present an overview of the state-of-the-art of computational methods currently used in medicinal chemistry, whereas in chapter 2, general aspects of lead finding and optimization are discussed. Quantitative Structure-Activity Relationships (QSAR) has a long history in the drug discovery field and reached a tremendous relevance in the optimization of promising leads. The impact of combinatorial library design and high throughput screening in drug design has created unique opportunities for the application of QSAR principles in information management, data analysis, and predictive model generation. In chapters 3 to 5, the main QSAR methods currently used are presented. Hologram QSAR (HQSAR) is a modern 2D QSAR technique that has proved its power and robustness in the creation of useful QSAR models to help medicinal chemists in their drug discovery projects in both academia and pharmaceutical industry, which is discussed in chapter 3. In chapter 4, some of the technologies that are needed to generate QSAR based on the three-dimensional description of the ligands, termed 3D QSAR, are discussed. The chapter considers mostly the models used when the 3D structure of the receptor is known. We do so because of the understanding that in the near future proteomics will identify all the therapeutically relevant targets and their 3D structures will be available. However, since this is not a necessary condition for developing a 3D QSAR model, we provide information regarding the description of the 3D structure of the small molecules required for developing a model. In chapter 5, the next-dimensions added to the 3D-QSAR methods include, beyond the third-dimension, multiple conformers as the fourth-dimension (4D), induced-fit as the fifth-dimension (5D), and solvent effect as the sixth-dimension (6D). An overview of these multidimensional-QSAR methods dealing with 4D, 5D, and 6D are discussed along with the approaches used to construct 3D-QSAR models using these additional dimensions such as the Receptor Independent (RI) and the Receptor Dependent (RD) 4D-QSAR and Quasar 4D/5D/6D-QSAR methods. The structure determination of an unknown organic compound is a very old challenge. To solve this problem in the past, chemists used different laboratorial approaches combined with spectrometric techniques. Since then, the amount of available data has considerable enhanced and nowadays this flood of information is still being accumulated while productivity is to some extent stagnated. With the fast development of the field of informatics combined with the availability of efficient algorithms there is a great expectation that computer programs can assist the researchers in structure elucidation. In the last years both academia and companies specialized in the development of chemical software decided to focus their research on this subject. In chapter 6, the main aspects of Computer-Assisted Structure Elucidation (CASE) are discussed, including artificial intelligence in its broad sense. In the two subsequent chapters, theoretical methods currently used in Biological Physics are presented. Chapter 7 discusses the protein-folding problem. The full understanding of the folding process, from any perspective, has proven to be a very difficult problem to be solved. Due to its importance for several branches of human activities, world wide efforts to describe in details the folding reaction have mobilized researchers and technicians from several scientific areas, projecting an optimistic vision for the near future with respect to the possibility of complete comprehension of the sequence-structure interdependence. However, as a grand challenge problem to be surmounted, different approaches have been employed in its treatment; here the minimalist model is emphasized. Humanity has always been afflicted by different type of plagues. Therefore, the search for scientific solutions, which can help to identify their causes and/or reduce their effects, has been made in several levels of the human organization through techniques and expertise of several areas of knowledge. A general (stochastic) formalism for the evolution of a population invaded by an infection is presented in chapter 8, in which the traditional Monte Carlo (MC) method is applied to the epidemics prediction. In chapters 9 to 12, current methods of interest for medicinal chemists are presented. In chapter 9, the basic concepts of mass spectrometry are introduced. The main part and aim of this chapter is to summarize the major ionisation techniques applied in modern laboratories for the analysis of organic molecules. No ionisation technique is universal, and each one has its own characteristic advantages and disadvantages. By careful use of this chapter, the authors hope that readers new to, or with limited experience of mass spectrometry, might learn about the uses and applications of each technique. Each section is accompanied with cartoon schematics of the ionisation sources and some ionisation mechanistic details. We have also provided references to major review articles in the literature that contain far more details on the developments of the techniques and the physical processes involved. In chapter 10, the use of zebrafish and mouse animal models as a current available tool and technology to fulfill drug discovery and development needs is explored. Those remarkable animal models play an important role as emerging tools to understand gene and molecule function and signaling pathways during disease and cancer initiation, development and progression. The RNA interference have been used to investigate the function of proteins that play a role in human diseases, to discover new regulators of pathways, and it has been considered as an alternative strategy for the treatment of many diseases. In chapter 11, we shortly discuss recent progress in its relevance as a research tool in molecular medicine and as a new therapy in the fight against cancer and others diseases. Finally, in chapter 12, we discuss the important role of combinatorial chemistry in drug discovery. Some contents of this book therefore reflect our own ideas and personal experiences, which are presented in reviews of different topics here investigated. It is interesting to consider the information described in this book as the starting point to access many available and varied knowledge in Medicinal Chemistry and Biological Physics or related areas.

Molecular Docking for Computer Aided Drug Design

Molecular Docking for Computer Aided Drug Design
Author: Mohane S. Coumar
Publsiher: Academic Press
Total Pages: 520
Release: 2021-03-01
ISBN 10: 0128223138
ISBN 13: 9780128223130
Language: EN, FR, DE, ES & NL

Molecular Docking for Computer Aided Drug Design Book Review:

Molecular Docking for Computer-Aided Drug Design: Fundamentals, Techniques, Resources and Applications offers in-depth coverage on the use of molecular docking for drug design. The book is divided into three main sections that cover basic techniques, tools, web servers and applications. It is an essential reference for students and researchers involved in drug design and discovery. Covers the latest information and state-of-the-art trends in structure-based drug design methodologies Includes case studies that complement learning Consolidates fundamental concepts and current practice of molecular docking into one convenient resource

The Era of Artificial Intelligence Machine Learning and Data Science in the Pharmaceutical Industry

The Era of Artificial Intelligence  Machine Learning  and Data Science in the Pharmaceutical Industry
Author: Stephanie K. Ashenden
Publsiher: Academic Press
Total Pages: 264
Release: 2021-05-07
ISBN 10: 0128204494
ISBN 13: 9780128204498
Language: EN, FR, DE, ES & NL

The Era of Artificial Intelligence Machine Learning and Data Science in the Pharmaceutical Industry Book Review:

The Era of Artificial Intelligence, Machine Learning and Data Science in the Pharmaceutical Industry examines the drug discovery process, assessing how new technologies have improved effectiveness. Artificial intelligence and machine learning are considered the future for a wide range of disciplines and industries, including the pharmaceutical industry. In an environment where producing a single approved drug costs millions and takes many years of rigorous testing prior to its approval, reducing costs and time is of high interest. This book follows the journey that a drug company takes when producing a therapeutic, from the very beginning to ultimately benefitting a patient’s life. This comprehensive resource will be useful to those working in the pharmaceutical industry, but will also be of interest to anyone doing research in chemical biology, computational chemistry, medicinal chemistry and bioinformatics. Demonstrates how the prediction of toxic effects is performed, how to reduce costs in testing compounds, and its use in animal research Written by the industrial teams who are conducting the work, showcasing how the technology has improved and where it should be further improved Targets materials for a better understanding of techniques from different disciplines, thus creating a complete guide

Artificial Intelligence Platform For Molecular Targeted Therapy A Translational Science Approach

Artificial Intelligence Platform For Molecular Targeted Therapy  A Translational Science Approach
Author: Ariel Fernandez
Publsiher: World Scientific
Total Pages: 468
Release: 2021-03-12
ISBN 10: 9811232326
ISBN 13: 9789811232329
Language: EN, FR, DE, ES & NL

Artificial Intelligence Platform For Molecular Targeted Therapy A Translational Science Approach Book Review:

In the era of big biomedical data, there are many ways in which artificial intelligence (AI) is likely to broaden the technological base of the pharmaceutical industry. Cheminformatic applications of AI involving the parsing of chemical space are already being implemented to infer compound properties and activity. By contrast, dynamic aspects of the design of drug/target interfaces have received little attention due to the inherent difficulties in dealing with physical phenomena that often do not conform to simplifying views.This book focuses precisely on dynamic drug/target interfaces and argues that the true game change in pharmaceutical discovery will come as AI is enabled to solve core problems in molecular biophysics that are intimately related to rational drug design and drug discovery.Here are a few examples to convey the flavor of our quest: How do we therapeutically impair a dysfunctional protein with unknown structure or regulation but known to be a culprit of disease? In regards to SARS-CoV-2, what is the structural impact of a dominant mutation?, how does the structure change translate into a fitness advantage?, what new therapeutic opportunity arises? How do we extend molecular dynamics simulations to realistic timescales, to capture the rare events associated with drug targeting in vivo? How do we control specificity in drug design to selectively remove side effects? This is the type of problems, directly related to the understanding of drug/target interfaces, that the book squarely addresses by leveraging a comprehensive AI-empowered approach.

Grid Computing for Bioinformatics and Computational Biology

Grid Computing for Bioinformatics and Computational Biology
Author: El-Ghazali Talbi,Albert Y. Zomaya
Publsiher: John Wiley & Sons
Total Pages: 400
Release: 2007-12-04
ISBN 10: 9780470191620
ISBN 13: 0470191627
Language: EN, FR, DE, ES & NL

Grid Computing for Bioinformatics and Computational Biology Book Review:

The only single, up-to-date source for Grid issues in bioinformatics and biology Bioinformatics is fast emerging as an important discipline for academic research and industrial applications, creating a need for the use of Grid computing techniques for large-scale distributed applications. This book successfully presents Grid algorithms and their real-world applications, provides details on modern and ongoing research, and explores software frameworks that integrate bioinformatics and computational biology. Additional coverage includes: * Bio-ontology and data mining * Data visualization * DNA assembly, clustering, and mapping * Molecular evolution and phylogeny * Gene expression and micro-arrays * Molecular modeling and simulation * Sequence search and alignment * Protein structure prediction * Grid infrastructure, middleware, and tools for bio data Grid Computing for Bioinformatics and Computational Biology is an indispensable resource for professionals in several research and development communities including bioinformatics, computational biology, Grid computing, data mining, and more. It also serves as an ideal textbook for undergraduate- and graduate-level courses in bioinformatics and Grid computing.