Interaction of Biomolecules and Bioactive Compounds with the SARS-CoV-2 Proteins: Molecular Simulations for the fight against Covid-19 PDF Download

Author: Mattia Falconi
Publisher: Frontiers Media SA
ISBN: 288976575X
Category : Science
Languages : en
Pages : 129

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Author: Jen-Tsung Chen
Publisher: CRC Press
ISBN: 1000909093
Category : Medical
Languages : en
Pages : 681

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Book Description
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

Author: Jiapu Zhang
Publisher: Springer Nature
ISBN: 3031367731
Category : Science
Languages : en
Pages : 956

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Book Description
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.

Author: Rajeshwar P. Sinha
Publisher: Academic Press
ISBN: 0128206594
Category : Science
Languages : en
Pages : 504

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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)

Author: Da’san Mahmoud Mousa Jaradat
Publisher: Frontiers Media SA
ISBN: 2889716473
Category : Science
Languages : en
Pages : 419

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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.

Author: Hifzur Siddique
Publisher: Academic Press
ISBN: 0323906990
Category : Science
Languages : en
Pages : 720

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Book Description
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

Author: Jen-Tsung Chen
Publisher: CRC Press
ISBN: 1040134467
Category : Science
Languages : en
Pages : 475

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Book Description
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.”

Author: Emilia Pedone
Publisher: Frontiers Media SA
ISBN: 2889715051
Category : Science
Languages : en
Pages : 251

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Author: Andrzej Joachimiak
Publisher: Frontiers Media SA
ISBN: 283251703X
Category : Science
Languages : en
Pages : 206

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Author: Siddhartha Pati
Publisher: Elsevier
ISBN: 0443158088
Category : Science
Languages : en
Pages : 706

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Book Description
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