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The phrase "drug design" is similar to ligand design (i.e., design of a molecule that will bind tightly to its target). [6] Although design techniques for prediction of binding affinity are reasonably successful, there are many other properties, such as bioavailability, metabolic half-life, and side effects, that first must be optimized before a ligand can become a safe and effictive drug.
The importance of this field is reviewed in a book dedicated to the subject (Bodor, N.; Buchwald, P.; Retrometabolic Drug Design and Targeting, 1st ed., Wiley & Sons, 2012), as well as by a full chapter of Burger's Medicinal Chemistry and Drug Design, 7th ed. (2010) with close to 150 chemical structures and more than 450 references. [35]
Another method for drug discovery is de novo drug design, in which a prediction is made of the sorts of chemicals that might (e.g.) fit into an active site of the target enzyme. For example, virtual screening and computer-aided drug design are often used to identify new chemical moieties that may interact with a target protein.
She is the author of a seminal volume in cheminformatics, Quantitative Drug Design (2nd Ed., 2010), and has been the recipient of numerous awards in her field, including being named as a fellow of the American Association for the Advancement of Science (1985) and of the International Union of Pure and Applied Chemistry (2000), and receiving the ...
Combinatorial chemistry comprises chemical synthetic methods that make it possible to prepare a large number (tens to thousands or even millions) of compounds in a single process. These compound libraries can be made as mixtures, sets of individual compounds or chemical structures generated by computer software. [ 1 ]
Crown ether coordinating a potassium ion. Charles John Pedersen (Japanese: 安井 良男, Yasui Yoshio, October 3, 1904 – October 26, 1989) was an American organic chemist best known for discovering crown ethers and describing methods of synthesizing them during his entire 42-year career as a chemist for DuPont at DuPont Experimental Station in Wilmington, Delaware, and at DuPont's Jackson ...
An image from John Dalton's A New System of Chemical Philosophy, the first modern explanation of atomic theory.. This timeline of chemistry lists important works, discoveries, ideas, inventions, and experiments that significantly changed humanity's understanding of the modern science known as chemistry, defined as the scientific study of the composition of matter and of its interactions.
Fragment Based Drug Design, Volume V493: Tools, Practical Approaches, and Examples (Methods in Enzymology). Boston: Academic Press. ISBN 978-0-12-381274-2. Erlanson DA (June 2011). "Introduction to Fragment-Based Drug Discovery". Fragment-Based Drug Discovery and X-Ray Crystallography. Topics in Current Chemistry. Vol. 317. pp. 1–32.
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