Phytochemistry, Computational Tools, and Databases in Drug Discovery /

Phytochemistry, Computational Tools and Databases in Drug Discovery presents the state-of-the-art in computational methods and techniques for drug discovery studies from medicinal plants. Various tools and databases for virtual screening and characterization of plant bioactive compounds and their su...

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Bibliographic Details
Corporate Author: ScienceDirect (Online service)
Other Authors: Egbuna, Chukwuebuka (Editor), Rudrapal, Mithun (Editor), Tijjani, Habibu (Editor)
Format: eBook
Language:English
Published: Amsterdam, Netherlands ; Oxford, United Kingdom ; Cambridge MA : Elsevier, [2023]
Series:Drug Discovery Update
Subjects:
Online Access:Connect to the full text of this electronic book

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245 0 0 |a Phytochemistry, Computational Tools, and Databases in Drug Discovery /  |c edited by Chukwuebuka Egbuna, Mithun Rurapal, Habibu Tijjani. 
264 1 |a Amsterdam, Netherlands ;  |a Oxford, United Kingdom ;  |a Cambridge MA :  |b Elsevier,  |c [2023] 
300 |a 1 online resource (494 p.). 
336 |a text  |b txt  |2 rdacontent 
337 |a computer  |b c  |2 rdamedia 
338 |a online resource  |b cr  |2 rdacarrier 
490 0 |a Drug Discovery Update 
505 0 |a 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 
505 8 |a 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 
505 8 |a 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) 
505 8 |a 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 
505 8 |a 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 
500 |a Abbreviations 
588 |a Description based on online resource; title from digital title page (viewed on March 27, 2023). 
520 |a Phytochemistry, Computational Tools and Databases in Drug Discovery presents the state-of-the-art in computational methods and techniques for drug discovery studies from medicinal plants. Various tools and databases for virtual screening and characterization of plant bioactive compounds and their subsequent predictions on biological targets for the discovery of new drugs against specific diseases are presented, along with computational tools for the prediction of the toxic effects of phytochemicals on living systems. The book also provides in-depth insight on the applications of these computational tools as well as the databases that describe the interactions of phytochemicals with diseases along with predictions for druggable bioactive compounds. 
650 0 |a Botanical chemistry  |x Data processing. 
650 0 |a Artificial intelligence. 
650 2 |a Drug Discovery 
650 2 |a Plants, Medicinal 
650 2 |a Phytotherapy 
650 2 |a Databases as Topic 
650 2 |a Computer Simulation 
650 2 |a Artificial Intelligence 
650 6 |a Chimie végétale  |x Informatique. 
650 6 |a Plantes médicinales. 
650 6 |a Phytothérapie. 
650 6 |a Intelligence artificielle. 
650 7 |a artificial intelligence.  |2 aat 
650 7 |a Fitoquímica.  |2 thub 
650 7 |a Disseny de medicaments.  |2 thub 
650 7 |a Desenvolupament de medicaments.  |2 thub 
650 7 |a Quimioinformàtica.  |2 thub 
650 7 |a Simulació per ordinador.  |2 thub 
655 7 |a Electronic books.  |2 local 
655 7 |a Llibres electrònics.  |2 thub 
700 1 |a Egbuna, Chukwuebuka,  |e editor. 
700 1 |a Rudrapal, Mithun,  |e editor. 
700 1 |a Tijjani, Habibu,  |e editor. 
710 2 |a ScienceDirect (Online service) 
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