Phytochemistry, Computational Tools, and Databases in Drug Discovery (Drug Discovery Update)

By Chukwuebuka Egbuna, Mithun Rudrapal, Habibu Tijjani

If you’re a drug developer, medicinal chemist, phytochemist, or plant biochemist, you know how important it is to stay up to date with the latest research and tools in your field. One area that has seen significant advancements in recent years is the use of computational methods and databases in drug discovery studies from medicinal plants. In the book “Phytochemistry, Computational Tools and Databases in Drug Discovery,” authors Chukwuebuka Egbuna, Mithun Rudrapal, and Habibu Tijjani delve into this fascinating subject and provide a comprehensive overview of the state-of-the-art techniques and resources available for researchers in this field.

As the title suggests, the book is divided into three main sections: phytochemistry, computational tools, and databases. The first section focuses on the essential concepts of phytochemistry and how different classes of plant bioactive compounds can be isolated, characterized, and analyzed. The authors give a detailed account of various extraction and isolation techniques, as well as the use of spectroscopic and chromatographic methods for compound identification and quantification. This section serves as an excellent foundation for understanding the subsequent chapters on computational tools and databases.

The second section of the book delves into the use of computational methods in drug discovery studies from medicinal plants. The authors provide an in-depth introduction to virtual screening techniques, which allow researchers to efficiently screen large databases of compounds to identify potential hits. They discuss different scoring functions and machine learning approaches that can be used to prioritize compounds for further experimental testing. Additionally, the authors explore the use of molecular docking and molecular dynamics simulations in assessing the interactions between bioactive compounds and their target proteins. These computational tools play a crucial role in understanding the mechanism of action of potential drug candidates and optimizing their chemical structures for enhanced activity.

One of the highlights of this section is the discussion on the prediction of toxic effects of phytochemicals on living systems. The authors explain how computational models can be used to assess the potential toxicity of bioactive compounds and prioritize them for further testing. This is an essential aspect of drug discovery, as it helps researchers identify compounds with favorable therapeutic properties and minimal side effects.

The final section of the book focuses on databases that provide information on the interactions of phytochemicals with diseases, as well as predictions for druggable bioactive compounds. The authors discuss the importance of curated databases in drug discovery research and provide an overview of some of the most commonly used resources in the field. They also highlight the challenges associated with data curation and integration and propose potential solutions for improving the quality and accessibility of these databases.

Overall, “Phytochemistry, Computational Tools and Databases in Drug Discovery” is an essential resource for researchers in the field of medicinal plant research. The book covers a wide range of topics, from the basic principles of phytochemistry to the advanced computational techniques used in drug discovery. The authors provide clear explanations and real-world examples that make the complex concepts easy to understand. Moreover, the inclusion of practical guidelines and recommendations ensures that readers can immediately apply the knowledge gained from this book to their own research projects.

Ordering this book not only gives you access to a wealth of valuable information but also provides you with the tools and resources necessary to stay at the forefront of your field. Whether you’re a seasoned researcher looking to enhance your computational skills or a student looking to expand your knowledge in the field of medicinal plant research, “Phytochemistry, Computational Tools and Databases in Drug Discovery” is a must-read. Don’t miss out on the opportunity to gain a competitive edge in your research endeavors – order your copy today!

Moreover, if you prefer a more interactive learning experience, you can also consider accessing the companion video series that accompanies the book. These videos provide step-by-step tutorials and demonstrations of the various computational techniques and databases discussed in the book. Following along with these tutorials will further enhance your understanding and allow you to quickly apply the concepts to your own research projects. By purchasing the book and the accompanying videos, you’ll have access to a comprehensive learning package that will significantly contribute to your success in the field of drug discovery from medicinal plants.

In conclusion, “Phytochemistry, Computational Tools and Databases in Drug Discovery” is an invaluable resource for researchers in the field of medicinal plant research. It covers a wide range of topics, from the basics of phytochemistry to advanced computational techniques, and provides clear explanations and real-world examples. By ordering this book and its companion video series, you’ll gain access to a comprehensive learning package that will enhance your knowledge and skills in drug discovery. Don’t miss out on the opportunity to stay at the forefront of your field – order your copy today and take your research to new heights!

Product Details

• Publisher ‏ : ‎ Elsevier; 1st edition (December 19, 2022)
• Language ‏ : ‎ English
• ‏ : ‎ 490 pages
• ISBN-10 ‏ : ‎ 0323905935
• ISBN-13 ‏ : ‎ 978-0323905930