Chapter 01 Introduction.

Chapter 01 Introduction

Figure 1.4 Small molecule drug (quinpirol) bound to its protein target (dopamine D3 receptor). The cartoon on the right shows how a protein, such as the D3 receptor, spans the membrane of a cell. The D3 receptor in red depicts its conformation when the drug is bound. The D3 receptor in yellow depicts its conformation when no drug is bound. “TM” designates a transmembrane domain of the protein. Note the significant differences between the red and yellow regions on the intracellular side of the membrane, prompted by the binding of quinpirol from the extracellular side (Ligia Westrich, et al. Biochem. Pharmacol. 2010, 79, 897–907.) On the right is a molecular representation of the fluid mosaic model of a biomembrane structure. From Singer, S. J.; Nicolson, G L. Science. 1972, 175, 720. Reprinted with permission from AAAS. Copyright © 2014 Elsevier Inc. All rights reserved.

Figure 1.5 Small molecule drug (daunomycin) bound to its nucleic acid target (DNA). The different colors represent C (yellow), G (green), A (red), and T (blue). Mukherjee, A.; Lavery, R.; Bagchi, B.; Hynes, J. T. On the molecular mechanism of drug intercalation into DNA: A computer simulation study of the intercalation pathway, free energy, and DNA structural changes. J. Am. Chem Soc. 2008, 130, Reprinted with permission from Dr. Biman Bagchi, Indian Institute of Science, Bangalore, India. Journal of the American Chemical Society by American Chemical Society. Reproduced with permission of American Chemical Society in the format republish in a book via Copyright Clearance Center. Copyright © 2014 Elsevier Inc. All rights reserved.

Figure 1.6 Interaction of the drug zanamivir with its enzyme target neuraminidase. (a) Model derived from an X-ray crystal structure; zanamivir is depicted as a space-filling model at center: carbon (white), oxygen (red), nitrogen (blue), and hydrogen (not shown). Only the regions of the enzyme that are close to the inhibitor are shown: small ball and stick models show key enzyme side chains (b) Schematic two-dimensional representation showing noncovalent interactions (dotted-lines) between zanamivir and the enzyme. Copyright © 2014 Elsevier Inc. All rights reserved.

Chapter 01 Introduction.

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Chapter 01 Introduction.

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