Open Access Databases And Datasets For Drug Discovery

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Open Access Databases and Datasets for Drug Discovery

Author : Antoine Daina
Publisher : John Wiley & Sons
ISBN 13 : 3527348395
Total Pages : 357 pages
Book Rating : 4.5/5 (273 download)

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Book Synopsis Open Access Databases and Datasets for Drug Discovery by : Antoine Daina

Download or read book Open Access Databases and Datasets for Drug Discovery written by Antoine Daina and published by John Wiley & Sons. This book was released on 2023-12-26 with total page 357 pages. Available in PDF, EPUB and Kindle. Book excerpt: Open Access Databases and Datasets for Drug Discovery Timely resource discussing the future of data-driven drug discovery and the growing number of open-source databases With an overview of 90 freely accessible databases and datasets on all aspects of drug design, development, and discovery, Open Access Databases and Datasets for Drug Discovery is a comprehensive guide to the vast amount of “free data” available to today’s pharmaceutical researchers. The applicability of open-source data for drug discovery and development is analyzed, and their usefulness in comparison with commercially available tools is evaluated. The most relevant databases for small molecules, drugs and druglike substances, ligand design, protein 3D structures (both experimental and calculated), and human drug targets are described in depth, including practical examples of how to access and work with the data. The first part is focused on databases for small molecules, followed by databases for macromolecular targets and diseases. The final part shows how to integrate various open-source tools into the academic and industrial drug discovery and development process. Contributed to and edited by experts with long-time experience in the field, Open Access Databases and Datasets for Drug Discovery includes information on: An extensive listing of open access databases and datasets for computer-aided drug design PubChem as a chemical database for drug discovery, DrugBank Online, and bioisosteric replacement for drug discovery supported by the SwissBioisostere database The Protein Data Bank (PDB) and macromolecular structure data supporting computer-aided drug design, and the SWISS-MODEL repository of 3D protein structures and models PDB-REDO in computational aided drug design (CADD), and using Pharos/TCRD for discovering druggable targets Unmatched in scope and thoroughly reviewing small and large open data sources relevant for rational drug design, Open Access Databases and Datasets for Drug Discovery is an essential reference for medicinal and pharmaceutical chemists, and any scientists involved in the drug discovery and drug development.

Drug Discovery Stories

Author : Bin Yu
Publisher : Elsevier
ISBN 13 : 0443239339
Total Pages : 1243 pages
Book Rating : 4.4/5 (432 download)

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Book Synopsis Drug Discovery Stories by : Bin Yu

Download or read book Drug Discovery Stories written by Bin Yu and published by Elsevier. This book was released on 2024-10-25 with total page 1243 pages. Available in PDF, EPUB and Kindle. Book excerpt: Drug Discovery Stories: From Bench to Bedside presents a collection of cases on the development of highly successful pharmaceuticals. It delves into the realm of drug discovery, exploring the structural biology and biological functions of the sought-after targets. The book covers the identification of promising compounds, their transformation from hits to leads through meticulous optimization, and the elucidation of how key compounds interact with the target (in essence, providing invaluable insights for drug design). Additionally, it covers essential information such as the pivotal biological and PK data of lead compounds, any noteworthy clinical results, and a comprehensive overview of other candidate compounds. The field of drug discovery and development has experienced rapid evolution, with numerous new drugs receiving approval each year. While several books have been published on this subject, there is a pressing need for a new book series that accurately reflects the current advancements in drug discovery. This book aims to not only cater to the drug discovery community but also engage other communities involved in chemical biology, synthetic chemistry, and pharmacology. - Analyzes the drug discovery stories of different blockbuster drugs - Includes the newly approved drugs - Covers key aspects related to the drug development of the drugs

Artificial Intelligence in Drug Discovery

Author : Nathan Brown
Publisher : Royal Society of Chemistry
ISBN 13 : 1839160543
Total Pages : 425 pages
Book Rating : 4.8/5 (391 download)

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Book Synopsis Artificial Intelligence in Drug Discovery by : Nathan Brown

Download or read book Artificial Intelligence in Drug Discovery written by Nathan Brown and published by Royal Society of Chemistry. This book was released on 2020-11-04 with total page 425 pages. Available in PDF, EPUB and Kindle. Book excerpt: Following significant advances in deep learning and related areas interest in artificial intelligence (AI) has rapidly grown. In particular, the application of AI in drug discovery provides an opportunity to tackle challenges that previously have been difficult to solve, such as predicting properties, designing molecules and optimising synthetic routes. Artificial Intelligence in Drug Discovery aims to introduce the reader to AI and machine learning tools and techniques, and to outline specific challenges including designing new molecular structures, synthesis planning and simulation. Providing a wealth of information from leading experts in the field this book is ideal for students, postgraduates and established researchers in both industry and academia.

Chemoinformatics Approaches to Structure- and Ligand-Based Drug Design

Author : Adriano D. Andricopulo
Publisher : Frontiers Media SA
ISBN 13 : 2889457443
Total Pages : 415 pages
Book Rating : 4.8/5 (894 download)

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Book Synopsis Chemoinformatics Approaches to Structure- and Ligand-Based Drug Design by : Adriano D. Andricopulo

Download or read book Chemoinformatics Approaches to Structure- and Ligand-Based Drug Design written by Adriano D. Andricopulo and published by Frontiers Media SA. This book was released on 2019-02-05 with total page 415 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemoinformatics is paramount to current drug discovery. Structure- and ligand-based drug design strategies have been used to uncover hidden patterns in large amounts of data, and to disclose the molecular aspects underlying ligand-receptor interactions. This Research Topic aims to share with a broad audience the most recent trends in the use of chemoinformatics in drug design. To that end, experts in all areas of drug discovery have made their knowledge available through a series of articles that report state-of-the-art approaches. Readers are provided with outstanding contributions focusing on a wide variety of topics which will be of great value to those interested in the many different and exciting facets of drug design.

Converging Pharmacy Science and Engineering in Computational Drug Discovery

Author : Tripathi, Rati Kailash Prasad
Publisher : IGI Global
ISBN 13 :
Total Pages : 337 pages
Book Rating : 4.3/5 (693 download)

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Book Synopsis Converging Pharmacy Science and Engineering in Computational Drug Discovery by : Tripathi, Rati Kailash Prasad

Download or read book Converging Pharmacy Science and Engineering in Computational Drug Discovery written by Tripathi, Rati Kailash Prasad and published by IGI Global. This book was released on 2024-04-22 with total page 337 pages. Available in PDF, EPUB and Kindle. Book excerpt: The world of pharmaceutical research is moving at lightning speed, and the age-old approach to drug discovery faces many challenges. It's a fascinating time to be on the cutting edge of medical innovation, but it's certainly not without its obstacles. The process of developing new drugs is often time-consuming, expensive, and fraught with uncertainty. Researchers are constantly seeking ways to streamline this process, reduce costs, and increase the success rate of bringing new drugs to market. One promising solution lies in the convergence of pharmacy science and engineering, particularly in computational drug discovery. Converging Pharmacy Science and Engineering in Computational Drug Discovery presents a comprehensive solution to these challenges by exploring the transformative synergy between pharmacy science and engineering. This book demonstrates how researchers can expedite the identification and development of novel therapeutic compounds by harnessing the power of computational approaches, such as sophisticated algorithms and modeling techniques. Through interdisciplinary collaboration, pharmacy scientists and engineers can revolutionize drug discovery, paving the way for more efficient and effective treatments. This book is an invaluable resource for pharmaceutical scientists, researchers, and engineers seeking to enhance their understanding of computational drug discovery. This book inspires future innovations by showcasing cutting-edge methodologies and innovative research at the intersection of pharmacy science and engineering. It contributes to the ongoing evolution of pharmaceutical research. It offers practical insights and solutions that will shape the future of drug discovery, making it essential reading for anyone involved in the pharmaceutical industry.

Computational Drug Discovery

Author : Pooja A. Chawla
Publisher : Walter de Gruyter GmbH & Co KG
ISBN 13 : 3111207595
Total Pages : 543 pages
Book Rating : 4.1/5 (112 download)

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Book Synopsis Computational Drug Discovery by : Pooja A. Chawla

Download or read book Computational Drug Discovery written by Pooja A. Chawla and published by Walter de Gruyter GmbH & Co KG. This book was released on 2024-10-07 with total page 543 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational methods and understanding computational models are important in modern drug discovery. The book focuses on computational approaches that can improve the development of in silico methodologies. It includes lead hit methods, docking algorithms, computational chiral compounds, structure-based drug design, GROMACS and NAMD, structural genomics, toxicity prediction, enzyme inhibitors and peptidomimetic therapeutics

Dictionary of Natural Products

Author : Taylor & Francis Group
Publisher : CRC Press
ISBN 13 : 9781584883531
Total Pages : pages
Book Rating : 4.8/5 (835 download)

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Book Synopsis Dictionary of Natural Products by : Taylor & Francis Group

Download or read book Dictionary of Natural Products written by Taylor & Francis Group and published by CRC Press. This book was released on 2000-01-01 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:

Business Innovation

Author : Vijay Pandiarajan
Publisher : Routledge
ISBN 13 : 1000538249
Total Pages : 356 pages
Book Rating : 4.0/5 (5 download)

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Book Synopsis Business Innovation by : Vijay Pandiarajan

Download or read book Business Innovation written by Vijay Pandiarajan and published by Routledge. This book was released on 2022-01-25 with total page 356 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides an understanding of innovation models and why they are important in the business context, and considers sources of innovation and how to apply business frameworks using real-world examples of innovation-led businesses. After providing a solid background to the key concepts related to innovation models, the book looks at why innovation takes place and where the sources of innovation lie, from corporate research to crowd-sourced and government-funded initiatives. Innovation models across manufacturing, services and government are explored, as well as measuring innovation, and the impact of design thinking and lean enterprise principles on innovation and sustainability-driven imperatives. Offering a truly comprehensive and global approach, Business Innovation should be core or recommended reading for advanced undergraduate, postgraduate, MBA and Executive Education students studying Innovation Management, Strategic Management and Entrepreneurship.

Green's Dictionary of Slang (multi-volume set)

Author : Jonathon Green
Publisher : Chambers
ISBN 13 : 9780550104403
Total Pages : 0 pages
Book Rating : 4.1/5 (44 download)

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Book Synopsis Green's Dictionary of Slang (multi-volume set) by : Jonathon Green

Download or read book Green's Dictionary of Slang (multi-volume set) written by Jonathon Green and published by Chambers. This book was released on 2017-07-01 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: The three volumes of Green's Dictionary of Slang demonstrate the sheer scope of a lifetime of research by Jonathon Green, the leading slang lexicographer of our time. A remarkable collection of this often reviled but endlessly fascinating area of the English language, it covers slang from the past five centuries right up to the present day, from all the different English-speaking countries and regions. Totaling 10.3 million words and over 53,000 entries, the collection provides the definitions of 100,000 words and over 413,000 citations. Every word and phrase is authenticated by genuine and fully-referenced citations of its use, giving the work a level of authority and scholarship unmatched by any other publication in this field. Winner of the Dartmouth Medal RUSA/ALA Outstanding Reference Source 2011 Booklist Editors' Choice Library Journal Best Reference 2011

Translational Medicine in CNS Drug Development

Author : George G. Nomikos
Publisher : Academic Press
ISBN 13 : 0128031646
Total Pages : 460 pages
Book Rating : 4.1/5 (28 download)

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Book Synopsis Translational Medicine in CNS Drug Development by : George G. Nomikos

Download or read book Translational Medicine in CNS Drug Development written by George G. Nomikos and published by Academic Press. This book was released on 2019-06-18 with total page 460 pages. Available in PDF, EPUB and Kindle. Book excerpt: Translational Medicine in CNS Drug Development, Volume 29, is the first book of its kind to offer a comprehensive overview of the latest developments in translational medicine and biomarker techniques. With extensive coverage on all aspects of biomarkers and personalized medicine, and numerous chapters devoted to the best strategies for developing drugs that target specific disorders, this book presents an essential reference for researchers in neuroscience and pharmacology who need the most up-to-date techniques for the successful development of drugs to treat central nervous system disorders. Despite increases in the number of individuals suffering from CNS-related disorders, the development and approval of drugs for their treatment have been hampered by inefficiencies in advancing compounds from preclinical discovery to the clinic. However, in the past decades, game-changing strides have been made in our understanding of the pathophysiology of CNS disorders and the relationship of drug exposure in plasma and CNS to pharmacodynamic measures in both animals and humans. - Includes comprehensive coverage of biomarker tools and the role of personalized medicine in CNS drug development - Discusses strategies for drug development for a full range of CNS indications, with particular attention to neuropsychiatric and neurocognitive disorders - Includes chapters written by international experts from industry and academia

Drug repurposing and polypharmacology: A synergistic approach in multi-target based drug discovery

Author : Mithun Rudrapal
Publisher : Frontiers Media SA
ISBN 13 : 2832512623
Total Pages : 170 pages
Book Rating : 4.8/5 (325 download)

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Book Synopsis Drug repurposing and polypharmacology: A synergistic approach in multi-target based drug discovery by : Mithun Rudrapal

Download or read book Drug repurposing and polypharmacology: A synergistic approach in multi-target based drug discovery written by Mithun Rudrapal and published by Frontiers Media SA. This book was released on 2023-01-30 with total page 170 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Computational Phytochemistry

Author : Satyajit Dey Sarker
Publisher : Elsevier
ISBN 13 : 0443161038
Total Pages : 532 pages
Book Rating : 4.4/5 (431 download)

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Book Synopsis Computational Phytochemistry by : Satyajit Dey Sarker

Download or read book Computational Phytochemistry written by Satyajit Dey Sarker and published by Elsevier. This book was released on 2024-03-06 with total page 532 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Phytochemistry, Second Edition, explores how recent advances in computational techniques and methods have been embraced by phytochemical researchers to enhance many of their operations, refocusing and expanding the possibilities of phytochemical studies. By applying computational aids and mathematical models to extraction, isolation, structure determination, and bioactivity testing, researchers can obtain highly detailed information about phytochemicals and optimize working approaches. This book aims to support and encourage researchers currently working with or looking to incorporate computational methods into their phytochemical work. Topics in this book include computational methods for predicting medicinal properties, optimizing extraction, isolating plant secondary metabolites, and building dereplicated phytochemical libraries. The roles of high-throughput screening, spectral data for structural prediction, plant metabolomics, and biosynthesis are all reviewed before the application of computational aids for assessing bioactivities and virtual screening is discussed. Illustrated with detailed figures and supported by practical examples, this book is an indispensable guide for all those involved with the identification, extraction, and application of active agents from natural products. This new edition captures remarkable advancements in mathematical modeling and computational methods that have been incorporated in phytochemical research, addressing, e.g., extraction, isolation, structure determination, and bioactivity testing of phytochemicals. - Includes step-by-step protocols for various computational and mathematical approaches applied to phytochemical research - Features clearly illustrated chapters contributed by highly reputable researchers - Covers all key areas in phytochemical research, including virtual screening and metabolomics

Handbook of Marine Natural Products

Author : Ernesto Fattorusso
Publisher : Springer
ISBN 13 : 9789048138333
Total Pages : 0 pages
Book Rating : 4.1/5 (383 download)

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Book Synopsis Handbook of Marine Natural Products by : Ernesto Fattorusso

Download or read book Handbook of Marine Natural Products written by Ernesto Fattorusso and published by Springer. This book was released on 2012-04-21 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Handbook of Marine Natural Products" takes a fresh approach to describing the major themes of research in this rapidly developing field. This two volume reference work begins with a section that provides a taxonomic survey of the secondary metabolites of diverse marine life including microbes, algae, and invertebrates. This is followed by a demonstration of the techniques and strategies employed in modern structure elucidation of complex natural products. The natural roles of marine natural products are then explored in a series of focused chapters which include the topics of symbiosis, anti-predation and antifouling, chemical interactions, and defence against UV stress. Various routes which facilitate the understanding of marine natural product biosynthesis are subsequently explained and these are followed by an extensive set of chapters on the biomedical potential of marine natural products. The latter portion of this section considers the technologies and scientific disciplines necessary for advancing bioactive marine natural product lead compounds into actual pharmaceuticals. The reference work finishes with a selection of chapters describing marine toxins and their impact on public health and seafood resources. Final thoughts presented at the end of the second volume focus on the future of this field of investigation and discovery research. This publication is presented as a reference handbook and general concepts are emphasized and illustrated with numerous interesting examples, graphical information, and a comprehensive index. "Handbook of Marine Natural Products" introduces students who are at advanced undergraduate and entry graduate student levels to this fascinating multidisciplinary field. It is an ideal desk companion for courses focusing on this contemporary area.

Proteome Informatics

Author : Conrad Bessant
Publisher : Royal Society of Chemistry
ISBN 13 : 1782626735
Total Pages : 429 pages
Book Rating : 4.7/5 (826 download)

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Book Synopsis Proteome Informatics by : Conrad Bessant

Download or read book Proteome Informatics written by Conrad Bessant and published by Royal Society of Chemistry. This book was released on 2016-11-15 with total page 429 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of proteomics has developed rapidly over the past decade nurturing the need for a detailed introduction to the various informatics topics that underpin the main liquid chromatography tandem mass spectrometry (LC-MS/MS) protocols used for protein identification and quantitation. Proteins are a key component of any biological system, and monitoring proteins using LC-MS/MS proteomics is becoming commonplace in a wide range of biological research areas. However, many researchers treat proteomics software tools as a black box, drawing conclusions from the output of such tools without considering the nuances and limitations of the algorithms on which such software is based. This book seeks to address this situation by bringing together world experts to provide clear explanations of the key algorithms, workflows and analysis frameworks, so that users of proteomics data can be confident that they are using appropriate tools in suitable ways.

Dose-Response Analysis Using R

Author : Christian Ritz
Publisher : CRC Press
ISBN 13 : 1351981048
Total Pages : 227 pages
Book Rating : 4.3/5 (519 download)

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Book Synopsis Dose-Response Analysis Using R by : Christian Ritz

Download or read book Dose-Response Analysis Using R written by Christian Ritz and published by CRC Press. This book was released on 2019-07-19 with total page 227 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nowadays the term dose-response is used in many different contexts and many different scientific disciplines including agriculture, biochemistry, chemistry, environmental sciences, genetics, pharmacology, plant sciences, toxicology, and zoology. In the 1940 and 1950s, dose-response analysis was intimately linked to evaluation of toxicity in terms of binary responses, such as immobility and mortality, with a limited number of doses of a toxic compound being compared to a control group (dose 0). Later, dose-response analysis has been extended to other types of data and to more complex experimental designs. Moreover, estimation of model parameters has undergone a dramatic change, from struggling with cumbersome manual operations and transformations with pen and paper to rapid calculations on any laptop. Advances in statistical software have fueled this development. Key Features: Provides a practical and comprehensive overview of dose-response analysis. Includes numerous real data examples to illustrate the methodology. R code is integrated into the text to give guidance on applying the methods. Written with minimal mathematics to be suitable for practitioners. Includes code and datasets on the book’s GitHub: https://github.com/DoseResponse. This book focuses on estimation and interpretation of entirely parametric nonlinear dose-response models using the powerful statistical environment R. Specifically, this book introduces dose-response analysis of continuous, binomial, count, multinomial, and event-time dose-response data. The statistical models used are partly special cases, partly extensions of nonlinear regression models, generalized linear and nonlinear regression models, and nonlinear mixed-effects models (for hierarchical dose-response data). Both simple and complex dose-response experiments will be analyzed.

Pharmacokinetic Optimization in Drug Research

Author : Bernard Testa
Publisher : John Wiley & Sons
ISBN 13 : 9783906390222
Total Pages : 678 pages
Book Rating : 4.3/5 (92 download)

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Book Synopsis Pharmacokinetic Optimization in Drug Research by : Bernard Testa

Download or read book Pharmacokinetic Optimization in Drug Research written by Bernard Testa and published by John Wiley & Sons. This book was released on 2001-03-26 with total page 678 pages. Available in PDF, EPUB and Kindle. Book excerpt: The optimization of pharmacokinetic properties has become the bottleneck and a major challenge in drug research. There was, hence, an urgent need for a book covering this field in an authoritative, comprehensive, factual, and conceptual manner. In this work of unique breadth and depth, international authorities and practicing experts from academia and industry present the most modern biological, physicochemical, and computational strategies to achieve optimal pharmacokinetic properties in research series. These properties include gastrointestinal absorption, protein binding, brain permeation, and metabolic profile. Toxicological issues are, of course, also of utmost importance. In addition to its 33 chapters, the book includes a CD-ROM containing the invited lectures, oral communications and posters (in full version) presented at the Second LogP Symposium, 'Lipophilicity in Drug Disposition -- Practical and Computational Approaches to Molecular Properties Related to Drug Permeation, Disposition and Metabolism', held at the University of Lausanne in March 2000.n̓.

Crop Improvement

Author : Pankaj Kumar
Publisher : CRC Press
ISBN 13 : 1000381234
Total Pages : 270 pages
Book Rating : 4.0/5 (3 download)

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Book Synopsis Crop Improvement by : Pankaj Kumar

Download or read book Crop Improvement written by Pankaj Kumar and published by CRC Press. This book was released on 2021-06-30 with total page 270 pages. Available in PDF, EPUB and Kindle. Book excerpt: Crop Improvement: Biotechnological Advances – Biomedical Science The field of biotechnology is advancing at a fast pace. The availability of low-cost DNA/genome sequencing technologies has led to the discovery and functional characterization of myriad of genes imparting stress tolerance and quality traits. The ‘omics’ group of technologies including genomics, proteomics, transcriptomics and metabolomics has revolutionized the agricultural biotechnology sector. The Nobel Prize-winning technology, such as the genome editing technique, is being employed to edit various gene functions in plants aiding in crop improvement. This technology may be adopted very quickly by consumers compared with the transgenic technique because the genome-edited plants have no adverse effects on the genome of the plant itself and on the environment and related species/non-target organisms. In this book, authors have attempted to compile the latest techniques of agricultural biotechnology and their applications in crop improvement. Certain chapters have been dedicated to describe the use of nanotechnology, a fast emerging new technique in the agriculture sector. Features Development, potential and safety issues in biotechnology Advances in genomics, proteomics and transcriptomics in agriculture Protein bioinformatics and its applications Genetically modified (GM) technology and its implications Genome editing in crop improvement Marker-assisted selection (MAS) in crop improvement Mutation breeding Cryobiotechnology Nanotechnology and biosensors This book includes real-world examples and applications making it accessible to a broader interdisciplinary readership. We hope that it will serve as a reference book for researchers engaged in molecular biology and biotechnology and will act as a ready reckoner for postgraduate (PG) students in the biotechnology discipline.