| Description |
1 online resource (494 p.) |
| Series |
Drug Discovery Update |
| Contents |
Intro -- Phytochemistry, Computational Tools, and Databases in Drug Discovery -- Copyright -- Contents -- Contributors -- Chapter 1: Phytochemistry, history, and progress in drug discovery -- Abbreviations -- 1.1. Introduction -- 1.2. Origin of phytochemistry -- 1.3. Major events in the 19th century-Discovery of bioactive compounds -- 1.4. The emergence and use of aspirin -- 1.5. The emergence of cardioprotective knowledge of plants -- 1.6. Discovery of phytochemicals in the 20th century -- 1.6.1. Anti-diabetic phytochemicals -- 1.6.2. Rauwolfia alkaloid -- 1.6.3. The anti-cancer alkaloids |
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1.7. Molecular techniques and their interrelationship with phytochemistry -- 1.8. In-silico techniques for detailed study of phytomolecules -- 1.9. Advancements in phytochemistry in the 21st century -- 1.9.1. Anti-cancer agents -- 1.9.2. Hepatoprotective agents -- 1.9.3. Anti-diabetic agents -- 1.9.4. Anti-microbial agents -- 1.10. Conclusion and future prospects -- References -- Chapter 2: Trends in modern drug discovery and development: A glance in the present millennium -- Abbreviations -- 2.1. Introduction -- 2.2. Drug discovery and development in the 20th century |
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2.3. Recent trends in drug discovery -- 2.4. Modern drug discovery in the post-genomics era -- 2.5. Computer-aided drug design -- 2.6. Ligand-based drug design -- 2.7. Virtual screening -- 2.8. Target identification -- 2.9. Target validation -- 2.10. Homology modeling -- 2.11. Artificial intelligence -- 2.12. Conclusion -- Acknowledgments -- References -- Chapter 3: Computational phytochemistry, databases, and tools -- Abbreviations -- 3.1. Introduction -- 3.2. Computational phytochemistry -- 3.3. Phytochemical or natural product databases -- 3.3.1. COlleCtion of Open Natural prodUcTs (COCONUT) |
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3.3.2. African natural products database -- 3.3.3. Dr. Dukes phytochemical and ethnobotanical databases -- 3.3.4. IMPPAT (Indian Medicinal Plants, Phytochemistry and Therapeutics) -- 3.3.5. Alkamid -- 3.3.6. AntiBase -- 3.3.7. BioPhytMol -- 3.3.8. CamMedNP -- 3.3.9. Carotenoids database -- 3.4. Computational tools used for phytochemical drug discovery -- 3.5. Conclusion -- References -- Chapter 4: Computational approaches in drug discovery from phytochemicals -- Abbreviations -- 4.1. Introduction -- 4.2. Phytochemicals as leads in drug discovery -- 4.2.1. Alkaloids -- 4.2.2. Polyphenols |
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4.2.3. Saponins -- 4.2.4. Terpenoids -- 4.2.5. Organometallous compounds -- 4.2.6. Case study 1 -- 4.3. Computational-based approaches in phytochemical drug discovery -- 4.3.1. Data mining and chemoinformatic strategies -- 4.3.2. Virtual screening of phytochemical databases -- 4.3.3. Structure and ligand-based approaches -- 4.3.4. Network pharmacology approaches -- 4.3.5. Case study 2 -- 4.4. Application of computational tools in phytochemical drug discovery -- 4.5. Conclusion and future perspective -- References -- Chapter 5: Informatics and databases for phytochemical drug discovery |
| Notes |
Abbreviations |
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Description based on online resource; title from digital title page (viewed on March 27, 2023) |
| Subject |
Botanical chemistry -- Data processing
|
| Form |
Electronic book
|
| Author |
Egbuna, Chukwuebuka, editor
|
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Rudrapal, Mithun, editor
|
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Tijjani, Habibu, editor
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| ISBN |
9780323907163 |
|
0323907164 |
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