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Rational Drug Design

Rational Drug Design. Using the 3D Shape of Proteins to Design Drugs. The drug is most commonly an organic small molecule produced through chemical synthesis which activates or inhibits the function of a biomolecule . Designing a drug.

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Rational Drug Design

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  1. Rational Drug Design Using the 3D Shape of Proteins to Design Drugs

  2. The drug is most commonly an organic small molecule produced through chemical synthesis which activates or inhibits the function of a biomolecule.

  3. Designing a drug • Drug design involves the design of small molecules that are complementary in shape and charge to the biomoleculartarget (active site) . -The active site of a molecule is determined -A second molecule is designed to fit into the active site of the first molecule

  4. Types of drug design There are two major types of drug design. • ligand-based drug design (or indirect drug design) relies on knowledge of other molecules that bind to the biological target of interest • structure-based drug design (or direct drug design) relies on knowledge of the three dimensional structure of the biological target obtained through methods such as x-ray crystallography or NMR spectroscopy

  5. Designing a Drug to Block Amylase Action Amylase is a protein that cuts small maltose sugar molecules off starch molecules. Another enzyme, maltase, is responsible for breaking down the maltose molecules into two simple sugars known as glucose. Glucose is absorbed into the blood and transported to cells around the body to provide them with energy. AMYLASE STARCH MALTASE GLUCOSE MALTOSE STARCH GLUCOSE

  6. Block the active site of amylase Active Site Pig

  7. Manufacturing biological molecules like hormones • Step1 Recombinant DNA is made • Step2 Vectors are used as factories to make molecules Recombinant DNA (rDNA) is a form of artificial DNA that is created by combining two or more sequences through the process of gene splicing. Gene splicing: The process by which genes are cut apart and put back together to provide them with some new function.

  8. Nanoparticles Nanoparticles • are small to pass through the membrane • have a greater surface area per weight than larger particles; this helps them to be more reactive.

  9. Drug delivery using nanoparticles "Folate molecules on the nanoparticle bind to receptors on tumor cell membranes and the cell immediately internalizes it, because it thinks it's getting the vitamin it needs. But while it's bringing folate across the cell membrane, the cell also draws in the methotrexate that will poison it."

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