By Natanya Civjan
An authoritative examine the applying of chemical biology in drug discovery and development
Based at the award-winning Wiley Encyclopedia of Chemical Biology released in 2008, this publication explores the function of chemical biology in drug discovery and improvement. the 1st a part of the publication studies key rules and strategies utilized in the layout and overview of drug applicants. the second one half elucidates organic mechanisms of yes illnesses, illuminating techniques to enquire and objective those diseases.
Comprising conscientiously chosen reprints from the Encyclopedia in addition to new contributions from top students within the box, this e-book presents researchers in academia and with vital info to help within the improvement of novel brokers to regard affliction. Self-contained articles conceal numerous crucial subject matters, including:
- The layout, improvement, and optimization of drug candidates
- The pharmacokinetics and houses of drugs
- Drug shipping and delivery
- Natural items and typical product versions as pharmaceuticals
- Biological mechanisms underlying wellbeing and fitness and disease
- Treatment options for more than a few ailments, from HIV to schizophrenia
Chemical Biology is a top-notch consultant and reference for an individual operating within the parts of drug discovery and improvement, together with researchers in chemical biology and different fields comparable to biochemistry, medication, and pharmaceutical sciences
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Additional resources for Chemical Biology: Approaches to Drug Discovery and Development to Targeting Disease
Edited by Natanya Civjan. © 2012 John Wiley & Sons, Inc. Published 2012 by John Wiley & Sons, Inc. ” Identifying a selective small-molecule inhibitor for each protein in human genome is a formidable challenge for drug discovery and for chemical biology. Experimentally, high-throughput screening is the most widely used technology currently to identify hits for a target. On the other hand, computational methods, such as virtual screening and structure-based design, have become equally important to identify and to optimize small-molecule inhibitors.
RECEPTOR-BASED VLS 43 should be applied. The structure of the chapter follows the common ﬂow of identifying small-molecule inhibitors. We will discuss the particular computational methodologies used at different stages of the process in subsequent sections. 1 VIRTUAL SCREENING IN SELECTING SMALL MOLECULE INHIBITORS Virtual screening (VS) uses computational or theoretic methods to select molecules with desired biologic properties. It has broad applications in pharmaceutical industry. In this chapter, we limit ourselves to VS to identify biologically active small molecules.
2003;10:225–233. 13. Kitchen DB, Decornez H, Furr JR, Bajorath J. Docking and scoring in virtual screening for drug discovery: methods and applications. Nat. Rev. Drug Discov. 2004;3:935–949. 14. Chen YZ, Zhi DG. Ligand-protein inverse docking and its potential use in the computer search of protein targets of a small molecule. Proteins 2001;43:217–226. 15. Paul N, Kellenberger E, Bret G, Muller P, Rognan D. Recovering the true targets of speciﬁc ligands by virtual screening of the protein data bank.