Computational Approaches for Novel Therapeutic and Diagnostic Designing to Mitigate SARS-CoV2 Infection


Book Description

Computational Approaches for Novel Therapeutic and Diagnostic Designing to Mitigate SARS-CoV2 Infection: Revolutionary Strategies to Combat Pandemics compiles information about various computational bioinformatic approaches that can help combat viral infection. The book includes working knowledge of various molecular docking and molecular dynamic simulation approaches that have been exploited for drug repurposing and drug designing purpose. In addition, it sheds light on reverse vaccinomics and immunoinformatic approaches for vaccine designing against SARS-CoV2 infection. This book is an essential resource for researchers, bioinformaticians, computational biologists, computational chemists and pharmaceutical companies who are working on the development of effective and specific therapeutic interventions and point-of-care diagnostic devices using various computational approaches. - Covers computational based approaches for designing and repurposing drugs - Discusses immunoinformatic and reverse vaccinomic approaches for effective vaccine design - Categorizes information about artificial intelligence-based drug screening and diagnostic tools




Smart Diagnostics for Neurodegenerative Disorders


Book Description

Smart Diagnostics for Neurodegenerative Disorders: Neuro-sensors explores all available biosensor-based approaches and technologies as well as their use in the diagnosis, prognosis and therapeutic management of a variety of neurological disorders such as Alzheimer's, Parkinson's and epileptic disorders. The book also discusses contemporary and revolutionary biosensor platforms that are being used to produce a quantitative quick lab-on-a-chip point-of-care (POC) assay for several types of predictive and diagnostic biomarkers linked with neurodegenerative disorders. It offers a combinatorial strategy for learning recent advances and designing new biosensor-based technologies in the fields of medical science, engineering and biomedical technology. Early detection of neurological conditions has the potential to treat the disease and extend the life expectancy of patients. Recent improvements in biosensor-based approaches that target specific cell surface biomarkers can be used for early detection of neurodegenerative disease. - Provides an in-depth understanding of biomarkers associated with neurodegenerative disease to build and create a variety of biosensors - Presents biosensor-based strategies to create and construct enhanced platforms for quick diagnosis of biomarkers linked to a variety of neurological illnesses - Discusses the current challenges and future trends in developing diagnostic devices for early detection of neurodegenerative disorders, presenting new avenues for more sensitive and selective point-of-care devices




Computer-Aided Drug Design


Book Description

Computer-Aided Drug Design (CADD) is a comprehensive guide designed for both beginners and experienced users in CADD. This book covers the fundamental principles and gradually delves into more advanced concepts and techniques, making it an invaluable resource to anyone interested in CADD. It begins by establishing a solid foundation, explaining the core concepts of CADD, the user interface and essential tools. It covers QSAR, molecular docking, homology modeling, virtual screening, pharmacophore modeling, ensuring that the reader can quickly become proficient in CADD. The book provides in-depth insights into 3D modeling, rendering, and parametric design. The style of the book is simple, every topic begins from the very basics and explores advanced levels with clarity. Practical examples, step-by-step tutorials and hands-on exercises, are included for better understanding.




Ethnopharmacology and Drug Discovery for COVID-19: Anti-SARS-CoV-2 Agents from Herbal Medicines and Natural Products


Book Description

This book presents a complete overview of COVID-19 and provides a series of in-depth analyses of the literature and a comprehensive discussion and perspectives on promising anti-SARS-CoV-2 agents based on the system of ethnopharmacology, which covers Chinese medicine, traditional medicines of India and Africa, Turkish folk medicine, essential oils, and some well-known medicinal plants. In this book, the current status of therapeutic strategies against COVID-19 was summarized and a perspective of potential options for the future was proposed. Based on ethnopharmacology, some well-established traditional herbal formulations and bioactive compounds with anti-virus activity were repurposed for managing COVID-19 and post-illness, including neurological disorders and kidney illness. Using drug discovery tools, promising immune enhancers were explored from phytochemicals against SARS-CoV-2. Nutraceuticals from dietary plants, spices, and fruits with anti-virus and antioxidant activities were recommended to prevent infection or severe illness caused by emerging variants. With the aid of systems pharmacology, researchers have gained insights into possible molecular mechanisms of anti-SARS-CoV-2 activity and have predicted a range of candidate compounds from medicinal plants to combat COVID-19. This book explores the current knowledge of drug discovery and ethnopharmacology for managing coronavirus diseases. The content proved the anti-SARS-CoV-2 activity from natural products and traditional herbal medicines. It contributes to the management of global public health and fits the goal of establishing “Good Health and Well-Being,” which is one of “The Sustainable Development Goals (SDGs) 2030".




9789815223026


Book Description

Software and Programming Tools in Pharmaceutical Research is a detailed primer on the use for computer programs in the design and development of new drugs. Chapters offer information about different programs and computational techniques in pharmacology. The book will help readers to harness computer technologies in pharmaceutical investigations. Readers will also appreciate the pivotal role that software applications and programming tools play in revolutionizing the pharmaceutical industry. The book includes nine structured chapters, each addressing a critical aspect of pharmaceutical research and software utilization. From an introduction to pharmaceutical informatics and computational chemistry to advanced topics like molecular modeling, data mining, and high-throughput screening, this book covers a wide range of topics. Key Features: · Practical Insights: Presents practical knowledge on how to effectively utilize software tools in pharmaceutical research. · Interdisciplinary Approach: Bridges the gap between pharmaceutical science and computer science · Cutting-Edge Topics: Covers the latest advancements in computational drug development, including data analysis and visualization techniques, drug repurposing, pharmacokinetic modelling and screening. · Recommendations for Tools: Includes informative tables for software tools · Referenced content: Includes scientific references for advanced readers The book is an ideal primer for students and educators in pharmaceutical science and computational biology, providing a comprehensive foundation for this rapidly evolving field. It is also an essential resource for pharmaceutical researchers, scientists, and professionals looking to enhance their understanding of software tools and programming in drug development.







PHARMACEUTICAL PHD THESIS WRITING AND CONDUCTING THE RESEARCH STEP-BY-STEP GUIDANCE


Book Description

This book offers extensive and valuable advice for researchers starting with pharmaceutical studies and doctoral dissertation writing. The contributors provide precise, detailed instructions covering every phase of the research process, from choosing a topic to sharing findings, because they know the intricacies and difficulties that come with it. Essential topics covered in the book include writing a professional thesis, conducting literature reviews, planning experimental methods, and guaranteeing ethical human and animal research procedures. The book promises to provide researchers with the information and abilities required to succeed academically and professionally in the pharmaceutical sciences through helpful guidance, software tool recommendations, and communication techniques. Summary of the book This thorough manual is vital for researchers since it covers every pharmaceutical research and thesis composing stage. It starts with methods for choosing a study topic that is both possible and relevant. Key areas of exploration are identified by utilizing resources such as YouTube, LinkedIn, published papers, and reviews. The book leads users through creating a synopsis and offers precise, step-by-step guidance on successfully communicating your research. Essential phases of carrying out an exhaustive literature study are addressed, guaranteeing that you establish a firm basis by examining current material and pinpointing deficiencies. After that, the book moves on to planning and carrying out experiments, emphasising the significance of physicochemical characterisation, drug and excipient compatibility, and formulation development. It emphasises using QbD principles to optimise and evaluate various dosage forms alongside in vitro studies. Practical aspects of conducting animal and human studies ethically and effectively are addressed, followed by guidance on writing a compelling thesis. The book underscores the significance of professional writing in achieving a doctoral certificate and provides tips for image preparation, crucial for thesis writing. It also discusses various statistical, drug design, and research writing software tools. Finally, the guide prepares you for defending your thesis and offers advice on publishing and disseminating your findings to ensure your research reaches a broader audience. With its step-by-step approach and accessible language, this book is an invaluable companion for researchers embarking on pharmaceutical research and thesis writing across diverse fields.




Drug Repurposing


Book Description




Biochemical and Molecular Pharmacology in Drug Discovery


Book Description

Biochemical and Molecular Pharmacology in Drug Discovery comprises fundamental biochemical and molecular aspects of drug discovery and basic understanding of modern drug discovery approaches along with certain key topics related to molecular pharmacology of drugs and therapeutics. Molecular pharmacology has gained significant momentum among researchers, scientists, and academicians because of its increasing interest in drug discovery research across the globe. Molecular pharmacology involves a fundamental understanding of drug actions at the molecular level with the help of several tools and techniques of biochemical and molecular biology. It explains the phenomena of drug-target interactions considering different biochemical systems and cellular strategies. With the advent of technologies, current advances and research trends move toward molecular and/or target-based drug design and discovery. Through this book, readers will be able to gain skills and knowledge with a thorough understanding of the subject of biochemical and molecular pharmacology, in a comprehensive and systematic manner with special reference to recent advances in drug discovery research. - Highlights the fundamentals of biochemical and molecular aspects, with reference to drug discovery research - Depicts modern drug discovery approaches such as reverse pharmacology, drug repositioning, and CADD in the context of current research updates - Summarizes recent developments in the molecular pharmacology of novel drugs/ therapeutic molecules




Sustainable Green Catalytic Processes


Book Description

This groundbreaking book offers an in-depth description of sustainable green catalytic processes that have emerged as the means to empower the existing protocols with greener, sustainable, and environmentally benign versions that hold enormous potential in industry and society. Growing worldwide concerns about environmental pollution and global warming have directed the attention of scientists towards approaches for developing sustainable protocols, and the need for employing greener and more sustainable catalytic approaches that are environmentally greener and more eco-friendly than current ones. Green and sustainable catalysts are the one class of catalysts that possess higher selectivity and activity, efficient recovery from the reaction medium, recyclability, cost-effectiveness and are prepared using environmentally benign preparation techniques. The most potent instrument in organic synthesis, and the cornerstone of green chemistry, is catalysis which has broadened the possibilities for organic transformations in the direction of a sustainable future. The catalyst has been playing a vital role, from the improvement of reaction conditions to enhanced selectivity towards the intended product and a decrease in the creation of byproducts. The purpose of this book is to highlight the developments made towards designing new catalysts (homogeneous, heterogeneous, organocatalyst, nanocatalyst, photocatalyst, nanophotocatalyst, biocatalyst, nanobiocatalyst, metal catalyst etc,.) and present the advancements in the field of chemical synthesis using greener catalytic routes with far-reaching applications. The other environmentally friendly method is the enzymatic synthesis of organic molecules, which substitutes safe reagents for those that imitate the biosynthetic route to synthesize the desired organic molecules. With its ability to produce transformations that occasionally enable the reduction of steps in a synthetic route, biophotocatalysis has long been recognized as a green technology and key to creating environmentally friendly and sustainable chemistry. The employment of sustainable green processes on the most crucial reaction steps of the synthetic protocol satisfies contemporary needs for environmentally friendly operations during the creation of valuable chemicals. Readers will find the book: details new catalysts development designs (homo and heterogeneous); presents the advancement of organic synthesis using greener catalytic routes with far-reaching applications; elaborates on preparation techniques for green and sustainable catalysts that possess higher activity, efficient recovery, and cost-effectiveness; discusses how to epitomize a green approach towards the preparation of organic moieties via enzymatic synthesis; analyzes nano-catalysis with green-based reagents and solvents that allow producers to follow the fundamental pillars of the green economy; elucidates green chemistry’s principles and metrics of the chemical’s life cycle and design through disposal. Audience The core audiences for this book include scientists and engineers working in green chemistry, materials science, photocatalysts, biotechnology, nanotechnology, waste minimization, and sustainability. This book is an excellent resource for graduate students, R&D experts, and researchers in academic and industrial fields of chemical synthesis.