دانلود کتاب Drug Discovery and Design Using Natural Products

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Preface
Contents
Part I: Genesis of Research Projects That Use Natural Products to Design New Drugs
Drug Development Projects Guided by Ethnobotany and Ethnopharmacology Studies
1 Introduction
2 Ethnobotany
2.1 Ethnobotany and Natural Products
2.2 Ethnobotanical Approaches and Omic Techniques in Conjunction
3 Ethnopharmacology
3.1 Ethnopharmacology and Drug Development
4 Process of Ethnobotanical and Ethnopharmacological Drug Development
4.1 Plant Selection Guided by Ethnopharmacological Knowledge
4.2 Authentication of Plant
4.3 Extraction and Isolation of Natural Compounds
4.4 Structure Elucidation of Isolated Components
4.5 Bioscreening of Extracts, Fractions, and Isolates
4.6 Molecular Modeling and Natural Product Database
5 Conclusions
References
Natural Bioplymers as Scaffold
1 Introduction
2 Therapeutic Uses of Natural Products
2.1 Terpenes and Terpenoid
2.2 Alkaloids
2.3 Phenylpropanoid
2.4 Evodiamine
2.5 Tetracyclines
3 Natural Product-Based Scaffold
3.1 Alkaloid-Based Scaffold
3.2 Phenylpropanoid-Based Scaffold
3.3 Evodiamine-Based Scaffold
3.4 Tetracyclines-Based Scaffold
4 Conclusion
References
Artificial Intelligence and Discovery of Microbial Natural Products
1 Introduction
2 Machine Learning (ML) Algorithms in Microbial Drug Discovery
2.1 ML in Microbial Drug Discovery
3 Genome Mining in Relation to Microbial Drug Discovery
4 Computer-Assisted Prediction of Conditional Production of Microbial Natural Products
4.1 ML Algorithms and Conditional Production of Microbial Products
4.1.1 Artificial Neural Networks (ANN)
4.1.2 Support Vector Machines (SVMs)
4.1.3 Random Forest
4.1.4 K-Nearest-Neighbor (K-NN)
4.1.5 Gradient Boosting
5 Chemometrics and Automated Microbial Drug Discovery in Dereplication Process
5.1 Metabolite Dereplication Using MS and NMR Data
6 Prediction of Biological Function and Deorphanization of Microbial Natural Products
6.1 AI in the Prediction of Biological Function of Microbial Metabolites
6.2 AI in the Identification of Microbial Metabolic Pathways
6.3 Deorphanization
7 Perspective and De Novo Generation of NP-Inspired Compounds
7.1 NPs-Based De Novo Drug Design Using AI
7.2 Biology-Oriented Synthesis (BIOS)
7.3 Diversity-Oriented Synthesis Strategy
7.4 Complexity-to-Diversity Strategy
7.5 Functionally Oriented Synthesis Strategy
7.6 Pseudonatural Products
7.7 Scaffold Hopping with the Design of Genuine Structures (DOGS)
7.8 Shape-Based De Novo Design
8 Limitation of AI Application in NP Drug Discovery
9 Conclusion
References
Drug Development from Essential Oils: New Discoveries and Perspectives
1 Introduction
2 Essential Oils: General Aspects
3 Biological Activities
3.1 Antimicrobial Activity
3.1.1 Essential Oils in Combination with Antibiotics
3.2 Antiviral
3.2.1 Activity Against COVID-19 Virus
3.3 Anti-Inflammatory
3.4 Antioxidant
3.5 Anticancer
4 Toxicity
5 Incorporation of Essential Oils in Pharmaceutical Formulations
5.1 Nanoparticles
5.2 Nanocapsules
5.3 Nanoemulsion
6 Standardization of Essential Oils: Influences of Biotic and Abiotical Factors
References
Essential Oil-Derived Monoterpenes in Drug Discovery and Development
1 Introduction
2 Biosynthesis of Monoterpenes
3 Classification of Monoterpenes
3.1 Acyclic Monoterpenes
3.2 Cyclic Monoterpenes
3.2.1 Monocyclic Monoterpenes
3.2.2 Bicyclic Monoterpenes
4 Bioactivity of Monoterpenes
4.1 Anti-inflammatory Activity
4.2 Analgesic Activity
4.3 Antitumor Activity
4.4 Anticonvulsant Activity
4.5 Cardiovascular Protective Activity
4.6 Gastroprotective Activity
4.7 Wound-Healing Activity
4.8 Antifungal Activity
4.9 Antibacterial Activity
4.10 Antiviral Activity
5 Conclusion and Future Prospects
References
Part II: Initial Processes for Identifying and Extracting Compounds: Isolation and Identifying These Structures
Chromatographic Methods for Separation and Identification of Bioactive Compounds
1 Introduction
2 Gas Chromatography
3 High-Performance Liquid Chromatography
4 Countercurrent Chromatography (CCC) and Centrifugal Partition Chromatography (CPC)
5 Capillary Electrophoresis (CE)
6 Spectroscopic Methods for Structural Elucidation of Natural Products
6.1 Infrared (IR) Spectrometry
6.2 Mass Spectrometry
6.3 Nuclear Magnetic Resonance (NMR)
6.4 X-Ray Diffraction
6.5 Ultraviolet-Visible Spectroscopy (UV-Vis Spectroscopy)
References
Supercritical Fluid for Extraction and Isolation of Natural Compounds
1 Introduction
2 Methodology/Mechanism
References
Microwave-Assisted Extraction of Phytochemicals
1 Introduction
2 Fundamentals of Microwave Extraction (Microwave Theory)
3 Instrumentation of the Microwave Extraction
3.1 Fundamental Components in an MAE Device
3.2 Advantages of Closed-Vessel Systems
3.3 Limitations of Closed-Vessel Systems
3.4 Atmospheric Pressure or Open MAE System
4 Scaleup of Microwave-Assisted Extraction
5 Factors Influencing Microwave-Assisted Extraction
6 Microwave-Assisted Extraction of Fats and Oils
7 Types of MAE Extractants
8 Microwave-Assisted Extraction of Antioxidants
9 Extraction of Natural Pigments by Microwave-Assisted Technology
9.1 Recovery of Natural Pigments by Microwave Assistance
10 Extraction of Personal Care Products
11 Extraction of Pharmaceuticals
12 The Role of Microwaves in Omics Disciplines
12.1 Omics
12.2 Microwave Equipment for Assisting Omics
12.3 Microwave-Assisted Steps in Various Omics
12.4 Solvents Used in MW-Assisted Steps in Various Omics Disciplines
12.5 Microwave Assistance Trends in the Omics Approach
13 Conclusion
References
Part III: Screening of Compounds Using Molecular Modeling Approaches: Optimization of Natural Compounds Using In Silico Methods
Software for Drug Discovery and Protein Engineering: A Comparison Between the Alternatives and Recent Advancements in Computational Biology
1 Introduction: The Need for Computational Biology
2 Visualization of Molecular Structures
3 Prediction of Pharmacokinetic/Pharmacodynamic Profile
4 Prediction of Structures Including Homology Modeling
5 Interaction Networks
6 Pharmacophore Modeling and Molecular Docking
7 Molecular Dynamics Simulation
8 Conclusion
References
Part IV: Synthesis and Encapsulation of Compounds of Natural Origin
Multicomponent Reactions for the Synthesis of Natural Products and Natural Product-Like Libraries
1 Introduction
2 Imine-Initiated Multicomponent Reactions
2.1 Strecker Reaction
2.2 Mannich Reaction
2.3 Petasis (Borono–Mannich) Reaction
2.4 Povarov Reaction
3 Isonitrile-Based Multicomponent Reactions
3.1 Passerini Reaction and Its Variants
3.2 Ugi Reaction
4 Cycloaddition-Based Multicomponent Reactions
4.1 [3 + 2] Cycloadditions
4.2 Knoevenagel/Hetero Diels–Alder Domino Sequence
5 Multicomponent Reactions Based on Aryne Intermediates
6 Anion Relay Chemistry
6.1 Type I Anion Relay Chemistry
6.2 Type II Anion Relay Chemistry
6.3 Combination of Type I and Type II Anion Relay Chemistry
7 Transition Metal-Catalyzed Multicomponent Reactions
7.1 Palladium-Catalyzed Reactions
7.2 Copper-Catalyzed Reactions
8 Miscellaneous Multicomponent Reactions
9 Combinations of Multicomponent Reactions in Natural Product Synthesis
9.1 Passerini, Ugi-3CR, and Ugi-4CR
9.2 Combination of Two Joullié–Ugi Reactions
9.3 Combination of a C + NC + CC Coupling and a Strecker Reaction
10 Natural Products as Substrates for Multicomponent Reactions
11 Conclusions
References
Applications of (Nano)encapsulated Natural Products by Physical and Chemical Methods
1 Introduction
2 Encapsulation Methods
3 Nanoencapsulation of Biomolecules from Microbes
3.1 Nanoencapsulation of Biomolecules from Bacteria
3.2 Nanoencapsulation of Biomolecules from Yeasts
3.3 Nanoencapsulation of Bacteriophages
4 Nanoencapsulation of Biomolecules from Plants
5 Nanoencapsulation of Biomolecules from Marine and Freshwater Organisms
5.1 Nanoencapsulation of Biomolecules from Algae
5.2 Nanoencapsulation of Biomolecules from Fishes and Krill
6 Conclusions
References
Part V: Identification of Molecular Targets of Natural Molecules and Biological Potential
Targeted Delivery of Natural Products
1 Introduction
2 Natural Products in Medicinal Use
3 Contemporary Approaches to Formulation Development of Natural Products
4 Opportunities and Challenges in Targeted Delivery of Natural Products
5 Conclusion and Future Perspectives
Bibliography
Quorum Sensing and Quorum Sensing Inhibitors of Natural Origin
1 Introduction
1.1 Plants
1.1.1 Edible Plants
1.1.2 Fruits
1.1.3 Spices
1.1.4 Essential Oils
1.1.5 Medicinal Plants
Terpenoids
Flavonoids
Phenolic Acids
2 Fungal Quorum Sensing Inhibitors
3 Marine Organisms Are a Potent Source of QSIs
3.1 Algae
3.2 Bacteria
3.3 Other Marine Organisms as QSIs
4 Natural Enzymatic Degradation of QSMs
5 Conclusions
References
Bioactive Natural Products from Medicinal Plants
1 Introduction
1.1 Screening of Crude Extracts
1.2 Bioassay-Directed Isolation of Lead Compounds
2 Antimicrobial Natural Products
3 Antiglutathione S-Transferase Natural Products
4 Anti-α-Glucosidase Natural Products
5 Antiacetylcholinesterase Natural Products
6 Antirenin Natural Products
References
Natural Product Formulations to Overcome Poor ADMET Properties
1 Introduction
2 Phytochemicals and Medicinal Uses
3 Pharmacokinetic Parameters of Natural Products
4 Challenges in Natural Product Formulation
5 Formulation Technology Aspects of Natural Products
5.1 Conventional Approaches
5.1.1 Size Reduction
5.1.2 Surfactant and Solubilizing Agents
5.1.3 Salt Formation
5.1.4 Polymer Complexation
5.2 Nanotechnological Approaches
5.2.1 Polymer/Lipid Nanoparticles
5.2.2 Nanocapsules
5.2.3 Nanoemulsions
5.2.4 Dendrimers
5.2.5 Phytosomes
5.2.6 Micelles
6 Conclusion and Future Perspectives
References
Antioxidants in Oral Cavity Disorders
1 Introduction
2 Antioxidants in Caries
2.1 Grape Seed Extract
2.2 Green Tea
3 Antioxidants in Periodontitis
3.1 Vitamin C
3.2 Lycopene
3.3 Green Tea (GT)
3.4 Resveratrol
4 Conclusion
References
Cotula cinerea as a Source of Natural Products with Potential Biological Activities
1 Introduction
2 Research Methodology
3 Results and Discussion
3.1 Botanical Description
3.2 Geographic Distribution
3.3 Ethnobotanical Use
3.4 Phytochemistry
3.4.1 Essential Oil Terpenoids
3.4.2 Phenolic Acids
3.4.3 Flavonoids
3.4.4 Sulfated Flavonoids
3.4.5 Other Phytochemical Compounds
3.5 Pharmacological Investigation
3.5.1 Antimicrobial Activity
3.5.2 Antioxidant Activity
3.5.3 Anticancer Activity
3.5.4 Other Pharmacological Activities of Cotula cinerea
4 Conclusion and Future Perspectives
References
Essential Oil as a Source of Bioactive Compounds for the Pharmaceutical Industry
1 Introduction
2 Biological Activities
2.1 In Vitro
2.1.1 Antimicrobial Activity
2.1.2 Antioxidant Activity
2.2 Antiparasitic Activity
2.3 Anti-Inflammatory Activity
2.4 Antiviral Activity
2.5 Anxiolytic and Antidepressant Activities
2.6 Sedative Activity
2.7 Repellent and Insecticidal Activities
2.8 Essential Oils in Veterinary Medicine
2.9 Aromatherapy
3 Final Considerations
References
Natural Products from the Amazon Used by the Cosmetic Industry
1 Introduction
2 Cosmetic Industry
3 Amazonian Plant Species in the Production of Cosmetics
3.1 Açai (Euterpe oleracea)
3.2 Andiroba (Carapa guianensis)
3.3 Buriti (Mauritia flexuosa)
3.4 Cupuaçu (Theobroma grandiflorum)
References
Index