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Codrea_Biochem_07 - The University of Texas at Austin
Codrea_Biochem_07 - The University of Texas at Austin

... derivatives. Streptavidin is a tetrameric protein, similar to the avidin protein found in egg whites, but made by the Streptomyces avidinii bacteria. Streptavidin binds tightly to the vitamin D-biotin, and forms one of the strongest naturally-occurring non-covalent interactions between a protein and ...
rencana program dan kegiatan pembelajaran
rencana program dan kegiatan pembelajaran

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Calorimetry
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Hallucinogens and Dissociative Drugs

... NIDA RESEARCH REPO RT SERIES ...


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Excerpt from J.Mol.Biol.

... structure. Side-chains for Leu248 and Leu249 are omitted for clarity. All potential hydrogen bonds to the pterin moiety are shown as dotted lines. The green model of BH4 illustrates its position in the binary Fe(II)·BH4 complex when superimposed on the ternary structure using conserved active-site r ...
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Drug design



Drug design, sometimes referred to as rational drug design or simply rational design, is the inventive process of finding new medications based on the knowledge of a biological target. The drug is most commonly an organic small molecule that activates or inhibits the function of a biomolecule such as a protein, which in turn results in a therapeutic benefit to the patient. In the most basic sense, drug design involves the design of molecules that are complementary in shape and charge to the biomolecular target with which they interact and therefore will bind to it. Drug design frequently but not necessarily relies on computer modeling techniques. This type of modeling is often referred to as computer-aided drug design. Finally, drug design that relies on the knowledge of the three-dimensional structure of the biomolecular target is known as structure-based drug design. In addition to small molecules, biopharmaceuticals and especially therapeutic antibodies are an increasingly important class of drugs and computational methods for improving the affinity, selectivity, and stability of these protein-based therapeutics have also been developed.The phrase ""drug design"" is to some extent a misnomer. A more accurate term is ligand design (i.e., design of a molecule that will bind tightly to its target). Although design techniques for prediction of binding affinity are reasonably successful, there are many other properties, such as bioavailability, metabolic half-life, side effects, etc., that first must be optimized before a ligand can become a safe and efficacious drug. These other characteristics are often difficult to predict with rational design techniques. Nevertheless, due to high attrition rates, especially during clinical phases of drug development, more attention is being focused early in the drug design process on selecting candidate drugs whose physicochemical properties are predicted to result in fewer complications during development and hence more likely to lead to an approved, marketed drug. Furthermore, in vitro experiments complemented with computation methods are increasingly used in early drug discovery to select compounds with more favorable ADME (absorption, distribution, metabolism, and excretion) and toxicological profiles.
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