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In Silico Chemistry and Biology
In Silico Chemistry and Biology: Current and Future Prospects provides a compact overview on recent advances in this highly dynamic branch of chemistry. Various methods of protein modelling and computer-assisted drug design are presented, including fragment- and ligand-based approaches. Many successful practical applications of these techniques are demonstrated. The authors also look to the future and describe the main challenges of the field.
Chemometrics and Cheminformatics in Aquatic Toxicology
CHEMOMETRICS AND CHEMINFORMATICS IN AQUATIC TOXICOLOGY Explore chemometric and cheminformatic techniques and tools in aquatic toxicology Chemometrics and Cheminformatics in Aquatic Toxicology delivers an exploration of the existing and emerging problems of contamination of the aquatic environment through various metal and organic pollutants, including industrial chemicals, pharmaceuticals, cosmetics, biocides, nanomaterials, pesticides, surfactants, dyes, and more. The book discusses different chemometric and cheminformatic tools for non-experts and their application to the analysis and modeling of toxicity data of chemicals to various aquatic organisms. You’ll learn about a variety of aqu...
Role of Transcription Factors in Gastrointestinal Malignancies
This book illustrates the importance of transcription factors in gastrointestinal cancer progression and metastasis with regard to understanding the mechanism and target definition in drug discovery. Further, it describes the complex issues associated with cancer cell growth and metastasis. The respective chapters provide detailed information on the various types of transcription factors (NF-kB, HIF-1, STAT-3, E2F1, and Sp1) and gastric-associated cancers (esophagus, stomach, colorectal, liver and pancreatic cancers) in connection with specific functional studies like cell cycle, angiogenesis, migration, invasion and apoptosis. These transcription factors control the expression of several signaling pathways involved in tumor growth, making them ideal targets for gastrointestinal cancer therapy. In closing, the book provides comprehensive descriptions of the major challenges associated with gastrointestinal cancer therapy.
Chemoinformatics Approaches to Structure- and Ligand-Based Drug Design
Chemoinformatics is paramount to current drug discovery. Structure- and ligand-based drug design strategies have been used to uncover hidden patterns in large amounts of data, and to disclose the molecular aspects underlying ligand-receptor interactions. This Research Topic aims to share with a broad audience the most recent trends in the use of chemoinformatics in drug design. To that end, experts in all areas of drug discovery have made their knowledge available through a series of articles that report state-of-the-art approaches. Readers are provided with outstanding contributions focusing on a wide variety of topics which will be of great value to those interested in the many different and exciting facets of drug design.
In Silico Methods for Drug Design and Discovery
This eBook is a collection of articles from a Frontiers Research Topic. Frontiers Research Topics are very popular trademarks of the Frontiers Journals Series: they are collections of at least ten articles, all centered on a particular subject. With their unique mix of varied contributions from Original Research to Review Articles, Frontiers Research Topics unify the most influential researchers, the latest key findings and historical advances in a hot research area! Find out more on how to host your own Frontiers Research Topic or contribute to one as an author by contacting the Frontiers Editorial Office: frontiersin.org/about/contact.
