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Interaction Of Biomolecules And Bioactive Compounds With The Sars Cov 2 Proteins Molecular Simulations For The Fight Against Covid 19
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Book Synopsis Interaction of Biomolecules and Bioactive Compounds with the SARS-CoV-2 Proteins: Molecular Simulations for the fight against Covid-19 by : Mattia Falconi
Download or read book Interaction of Biomolecules and Bioactive Compounds with the SARS-CoV-2 Proteins: Molecular Simulations for the fight against Covid-19 written by Mattia Falconi and published by Frontiers Media SA. This book was released on 2022-07-18 with total page 129 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Bioactive Compounds Against SARS-CoV-2 by : Jen-Tsung Chen
Download or read book Bioactive Compounds Against SARS-CoV-2 written by Jen-Tsung Chen and published by CRC Press. This book was released on 2023-09-26 with total page 681 pages. Available in PDF, EPUB and Kindle. Book excerpt: Coronaviruses can cause illness, severe disease, and death; for example, Middle East respiratory syndrome (MERS), severe acute respiratory syndrome (SARS), and COVID-19. Vaccine development and antiviral drugs are challenged by the propensity for viral mutations allowing these viruses to evade such therapies. There are a number of bioactive compounds from natural sources, which can exert health benefits and act as antiviral therapies such as anti-inflammation, antioxidative stress, and immune regulation. This book summarizes research on the potential efficacy and underlying mechanisms of bioactive compounds and traditional medicines against SARS-CoV-2. Key Features Summarizes the potential benefits of bioactive therapies for coronaviruses Focuses on COVID-19, but also covers MERS and SARS Provides alternatives to vaccines and other antiviral drugs whose efficacy is reduced by viral mutations Relevant for clinicians and public health officials
Book Synopsis Optimization-based Molecular Dynamics Studies of SARS-CoV-2 Molecular Structures by : Jiapu Zhang
Download or read book Optimization-based Molecular Dynamics Studies of SARS-CoV-2 Molecular Structures written by Jiapu Zhang and published by Springer Nature. This book was released on 2023-10-16 with total page 956 pages. Available in PDF, EPUB and Kindle. Book excerpt: COVID-19 has brought us extensive research databases in the fields of biophysics, biology, and bioinformatics. To extract valuable structural bioinformatic information of SARS-CoV-2 structural and nonstructural proteins, it is necessary to work with large-scale datasets of molecular dynamics (MD) trajectories that need to be optimized. This monograph serves as a comprehensive guide to optimization-based MD studies of the molecular structures of SARS-CoV-2 proteins and RNA. The book begins by performing local optimization, taking into account the three-body movement and optimizing the noncovalent bonds of each molecular structure. The optimized structures reach a transition state that offers the best stability and lowest energy. The optimization process utilizes a hybrid strategy that combines mathematical optimization with various local search algorithms. This approach significantly reduces data volume while eliminating irrelevant bioinformatics data. To gain a thorough understanding of molecular stability and the mechanism of action, it is essential to consider not only static NMR, X-ray, or cryo-EM structures but also dynamic information obtained through MD or Quantum Mechanics/Molecular Mechanics (QM/MM) simulations. These simulations capture the internal motions and dynamic processes of molecules. Furthermore, for each protein, the structural bioinformatics obtained from the optimized structure is validated by analyzing large-scale MD trajectory databases, which are openly and freely available online. The analysis includes key structural bioinformatics aspects such as salt bridge electrostatic interactions, hydrogen bonds, van der Waals interactions, and hydrophobic interactions specific to each SARS-CoV-2 molecular structure. The book also delves into discussions on drugs, vaccines, and the origins of the virus. Additionally, pandemic mathematical models, including those incorporating time delays, are explored. This book is particularly valuable for professionals working in practical computing roles within computational biochemistry, computational biophysics, optimization and molecular dynamics, structural bioinformatics, biological mathematics, and related fields. It serves as an accessible introduction to these disciplines and is also an excellent teaching resource for students.
Book Synopsis Small Molecules and Peptide-Based Candidates as Therapeutics and Vaccines for COVID-19 Pandemic by : Da’san Mahmoud Mousa Jaradat
Download or read book Small Molecules and Peptide-Based Candidates as Therapeutics and Vaccines for COVID-19 Pandemic written by Da’san Mahmoud Mousa Jaradat and published by Frontiers Media SA. This book was released on 2021-11-16 with total page 419 pages. Available in PDF, EPUB and Kindle. Book excerpt: Topic Editor Dr. Balakumar Chandrasekaran holds patents relating to N-substituted isatin hydrazones as antimycobacterial and antimicrobial agents, and Pharmaceutical Compounds. Topic Editor Dr. Munir Al-Zeer holds a patent relating to Method for the Preparation of an Influenza Virus. All other Topic Editors declare no competing interests.
Book Synopsis Herbal Medicines by : Hifzur Siddique
Download or read book Herbal Medicines written by Hifzur Siddique and published by Academic Press. This book was released on 2022-02-14 with total page 720 pages. Available in PDF, EPUB and Kindle. Book excerpt: Herbal Medicines: A Boon for Healthy Human Life provides a comprehensive overview of the role of herbal medicines for treating a broad variety of human diseases, from neurological disorders to cancer and major disorders such as infectious diseases, metabolic disorders, and more. Each chapter summarizes the current state and future direction of the use of herbal medicines against multiple diseases from a translational point-of-view, making this reference a valuable source of information for a large audience, including researchers and healthcare providers interested in the field of herbal remedies. Discusses essential evidence-based information about herbal medicines Provides an update to new discoveries and recent advances on the use of herbal medicines to treat multiple human diseases Includes information on clinical studies and covers all major medicinal compounds, including alkaloids, glycosides, polyphenols and terpenes
Book Synopsis Traditional and Herbal Medicines for COVID-19 by : Jen-Tsung Chen
Download or read book Traditional and Herbal Medicines for COVID-19 written by Jen-Tsung Chen and published by CRC Press. This book was released on 2024-11-11 with total page 475 pages. Available in PDF, EPUB and Kindle. Book excerpt: Traditional and Herbal Medicines for COVID-19 explores promising ways to manage COVID-19, post-COVID, and long-COVID conditions. The management plans are based on anti-virus activity, anti-inflammatory activity, and diverse health benefits of traditional and herbal medicines through a comprehensive summarization of scientific literature by experts in the field. It presents views of the origin of SARS-CoV-2 and emerging variants and pathogenesis, and it proposes renewed strategies of diagnostics, vaccines, and therapies. Features Provides an in-depth analysis to illustrate the impact of traditional and herbal medicines on crucial protein targets responsible for the progress of SARS-CoV-2 infection and symptoms. Presents knowledge of SARS-CoV-2 and variants. Explores strategies to manage COVID-19, post-COVID, and long-COVID by applying traditional herbal medicines. Illustrates molecular aspects of anti-coronavirus activity from traditional herbal medicines. Features information on molecular mechanisms of target proteins involving COVID-19 infection and symptoms. Traditional and Herbal Medicines for COVID-19 serves as an ideal reference for researchers and experts in the fields of virology, epidemiology, drug discovery, and traditional herbal medicine. This book aligns with supporting the Sustainable Development Goals (SDGs) 2030 by the United Nations to establish “Good Health and Well-Being.”
Book Synopsis Molecular Studies of COVID-19 Chemistry by : Emilia Pedone
Download or read book Molecular Studies of COVID-19 Chemistry written by Emilia Pedone and published by Frontiers Media SA. This book was released on 2021-10-20 with total page 251 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Natural Bioactive Compounds by : Rajeshwar P. Sinha
Download or read book Natural Bioactive Compounds written by Rajeshwar P. Sinha and published by Academic Press. This book was released on 2020-10-06 with total page 502 pages. Available in PDF, EPUB and Kindle. Book excerpt: Natural Bioactive Compounds: Technological Advancements deals with the latest breakthroughs in the field of screening, characterization and novel applications of natural bioactive compounds from diverse group of organisms ranging from bacteria, viruses, cyanobacteria, algae, fungi, bryophytes, higher plants, sponges, corals and fishes. Written by some of the most reputed scientists in the field, this book introduces the reader to strategies and methods in the search for bioactive natural products. It is an essential read for researchers and students interested in bioactive natural products, their biological and pharmacological properties, their possible use as chemopreventive or chemotherapeutic agents, and other future potential applications. Explores natural sources of bioactive compounds, including cyanobacteria, bacteria, viruses, fungi and higher plants Discusses the potential applications of biological products, such as their use in medicine (antibiotics, cancer research, immunology), as food additives, supplements and technological substances Analyzes the contributions of emerging or developing technologies for the study of bioactive natural compounds (characterization and purification)
Book Synopsis COVID-19: Targeting Essential SARS-CoV-2 Proteins for Drug Discovery by : Andrzej Joachimiak
Download or read book COVID-19: Targeting Essential SARS-CoV-2 Proteins for Drug Discovery written by Andrzej Joachimiak and published by Frontiers Media SA. This book was released on 2023-03-10 with total page 206 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Recent Frontiers of Phytochemicals by : Siddhartha Pati
Download or read book Recent Frontiers of Phytochemicals written by Siddhartha Pati and published by Elsevier. This book was released on 2023-04-26 with total page 706 pages. Available in PDF, EPUB and Kindle. Book excerpt: Phytochemicals have been present in human diet and life since the birth of mankind, including the consuming of plant foods and the application of herbal treatments. This coevolutionary interaction of plants and people has resulted in humans' reliance on food and medicinal plants as sources of macronutrients, micronutrients, and bioactive phytochemicals. Phytochemicals can be used as adjuvant agents and sensitizers in traditional antibiotic and anticancer therapy, reducing the potential of selecting resistant microbial strains and cancer cells. Recent Frontiers of Phytochemicals addresses the many processes of potential phytochemical evaluation of known sources, with a focus on phytochemical and pharmacological evaluations, and computational research into the structures and pharmacological mechanisms of natural products and their applications in medicine, food and biotech. Novel extraction, characterization, and application method for phytochemicals in food, pharmacology, and biotechnology Colour illustrations and extensive tables with state-of-art information Covers potential sources of phytochemicals, their extraction and characterization techniques
Book Synopsis Multiscale Modeling From Macromolecules to Cell: Opportunities and Challenges of Biomolecular Simulations by : Valentina Tozzini
Download or read book Multiscale Modeling From Macromolecules to Cell: Opportunities and Challenges of Biomolecular Simulations written by Valentina Tozzini and published by Frontiers Media SA. This book was released on 2020-10-27 with total page 235 pages. Available in PDF, EPUB and Kindle. Book excerpt: This eBook is a collection of articles from a Frontiers Research Topic. Frontiers Research Topics are very popular trademarks of the Frontiers Journals Series: they are collections of at least ten articles, all centered on a particular subject. With their unique mix of varied contributions from Original Research to Review Articles, Frontiers Research Topics unify the most influential researchers, the latest key findings and historical advances in a hot research area! Find out more on how to host your own Frontiers Research Topic or contribute to one as an author by contacting the Frontiers Editorial Office: frontiersin.org/about/contact.
Book Synopsis Machine Learning Methodologies To Study Molecular Interactions by : Elif Ozkirimli
Download or read book Machine Learning Methodologies To Study Molecular Interactions written by Elif Ozkirimli and published by Frontiers Media SA. This book was released on 2022-01-21 with total page 147 pages. Available in PDF, EPUB and Kindle. Book excerpt: Dr. Elif Ozkirimli is a full time employee of F. Hoffmann-La Roche AG, Switzerland and Dr. Artur Yakimovich is a full time employee of Roche Products Limited, UK. All other Topic Editors declare no competing interests with regards to the Research Topic.
Book Synopsis The Fragment Molecular Orbital Method by : Dmitri Fedorov
Download or read book The Fragment Molecular Orbital Method written by Dmitri Fedorov and published by CRC Press. This book was released on 2009-05-14 with total page 304 pages. Available in PDF, EPUB and Kindle. Book excerpt: Answering the need to facilitate quantum-chemical calculations of systems with thousands of atoms, Kazuo Kitaura and his coworkers developed the Fragment Molecular Orbital (FMO) method in 1999. Today, the FMO method can be applied to the study of whole proteins and protein-ligand interactions, and is extremely effective in calculating the propertie
Book Synopsis Clinical Virology by : Douglas D. Richman
Download or read book Clinical Virology written by Douglas D. Richman and published by John Wiley & Sons. This book was released on 2020-07-10 with total page 1489 pages. Available in PDF, EPUB and Kindle. Book excerpt: The essential reference of clinical virology Virology is one of the most dynamic and rapidly changing fields of clinical medicine. For example, sequencing techniques from human specimens have identified numerous new members of several virus families, including new polyomaviruses, orthomyxoviruses, and bunyaviruses. Clinical Virology, Fourth Edition, has been extensively revised and updated to incorporate the latest developments and relevant research. Chapters written by internationally recognized experts cover novel viruses, pathogenesis, epidemiology, diagnosis, treatment, and prevention, organized into two major sections: Section 1 provides information regarding broad topics in virology, including immune responses, vaccinology, laboratory diagnosis, principles of antiviral therapy, and detailed considerations of important organ system manifestations and syndromes caused by viral infections. Section 2 provides overviews of specific etiologic agents and discusses their biology, epidemiology, pathogenesis of disease causation, clinical manifestations, laboratory diagnosis, and management. Clinical Virology provides the critical information scientists and health care professionals require about all aspects of this rapidly evolving field.
Book Synopsis Application of Natural Products in SARS-CoV-2 by : Kamal Niaz
Download or read book Application of Natural Products in SARS-CoV-2 written by Kamal Niaz and published by Elsevier. This book was released on 2022-10-20 with total page 548 pages. Available in PDF, EPUB and Kindle. Book excerpt: Application of Natural Products in SARS-CoV-2 examines the potential for natural products to treat COVID-19, bringing together the most recent research. SARS-CoV-2 is a novel disease H54 that is still being researched despite being globally prevalent. There are still few proven treatments, so repurposing existing drugs and treatments is essential. While there have been many articles published on the subject, this book is the first to bring together data and research on the topic. It includes information about molecular mechanism, dosage and safety profiles, and an essential resource for all scientists and researchers working to combat SARS-CoV-2. Collates known data and research on COVID-19 and natural products in a single and easy to find place Includes information about molecular mechanism, dosage and safety profiles Provides information from a diverse group of academics and industrial scientists
Book Synopsis Evaluation of Interactions of COVID Nonstructural Proteins 3, 5, and 6 with Human Proteins and Potentially Therapeutic Molecules by : Jessica Huitsing
Download or read book Evaluation of Interactions of COVID Nonstructural Proteins 3, 5, and 6 with Human Proteins and Potentially Therapeutic Molecules written by Jessica Huitsing and published by . This book was released on 2022 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: The COVID-19 pandemic, caused by Severe Acute Respiratory Syndrome Coronavirus 2, or SARS-CoV-2, has been ongoing for over two years. The virus spreads easily and is more unpredictable than well-known viruses like the flu, making it important to have reliable combative measures before we fully drop non-vaccine preventive actions, like mask-wearing.Therefore, we used computational protein modeling to investigate the interactions of three nonstructural proteins (abbreviated Nsp) encoded in the viral RNA genome-- Nsp3, Nsp5, and Nsp6 -- which are involved in the viral life cycle, with human P-type polyamine transporting ATPases ATP13A2 and ATP13A3, whose disease symptoms when mutated mimic certain COVID-19 complications. Understanding these interactions can help shed light on the mechanism of unexpected symptoms seen in COVID-19 and provide an avenue through which to treat infections. Additionally, papainlike protease (PLpro) and 3-chymotrypsin-like protease (3CLpro), which correspond to Nsp3 and Nsp5, respectively, are highly conserved between SARS-CoV and SARS-CoV-2 and thus make good potential drug targets due to their active sites and presumable lower ability to tolerate mutations (reducing the likelihood of treatments becoming ineffective), although the potential effects on the human proteasome would need to be further investigated. In addition, Nsp6 may help the virus evade host defenses by limiting the ability of autophagosomes to deliver viral particles to lysosomes, so limiting its interactions may increase the ability of the host cell to target its viral invader. One compound in particular, Haloperidol, showed promising results; predicted docking (via computational molecular docking software) to Nsp6 alone, as well as to Nsp6- heteroprotein complexes suggested strong binding, indicating a potential strong interaction that could impact the viral protein function and thus the viral life cycle.
Book Synopsis Ethnopharmacology and Drug Discovery for COVID-19: Anti-SARS-CoV-2 Agents from Herbal Medicines and Natural Products by : Jen-Tsung Chen
Download or read book Ethnopharmacology and Drug Discovery for COVID-19: Anti-SARS-CoV-2 Agents from Herbal Medicines and Natural Products written by Jen-Tsung Chen and published by Springer Nature. This book was released on 2023-10-09 with total page 591 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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".
