perform visual screening of Acetazolamide molecule THEORY: - iGEMDOCK - A Graphical Environment for Recognizing Pharmacological Interactions and Virtual Screening Pharmacological interactions are useful for identifying lead compounds and understanding ligand binding mechanisms for a therapeutic target. Currently‚ these interactions are often inferred from a set of active compounds that were acquired experimentally. Moreover‚ most docking programs loosely coupled the stages of structure-based virtual screening
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information both Ligands (Drugs) and Receptors (it can be intracellular protein‚ trans-membrane protein or extracellular protein). However‚ when the ligand’s information is not sufficient‚ it needs other calculation strategies to design and “modify” the ligands‚ and theoretically improve the drug effects‚ and that is called De Novo Evolution Drug Design. Current methods for structure-based drug design can be divided roughly into two categories. The first category is about “finding” ligands for a given
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Dose of drug administered ABSORPTION DISTRIBUTION Drug in tissues Drug in systemic circulation Pharmacokinetics Drug metabolized or excreted ELIMINATION Drug at site of action Pharmacologic effect Pharmacodynamics Toxicity Efficacy PHARMACOLOGY Pharmacodynamics Actions of drug on the body Specific to a drug/ class of drugs • Interaction with target sites (receptors/enzymes) • Effects at site of action • Dose-response relationship • Reduction in symptoms • Modification
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large amount of ligands. However‚ the high negative-charged surface may increase the chance of non-specific binding of other stronger positively charged molecules causing false positive signals. Covalent bound with the ligand through the EDC/NHS activation process which provides excellent chemical stability and tight immobilization onto the chip. There are multiple linkers available onto the chip‚ including -NH2‚ -SH‚ -CHO‚ -OH or –COOH groups for binding a target ligand. However‚ the
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Discuss a range of analytical techniques used for the purification of proteins What are proteins? Proteins are the main building blocks of life. They are essential for the body and have many different roles . Proteins are made from sequence of amino acids. Protein structure is determined by their sequence of amino acids‚ which are linked by peptide link. Proteins are made from about 50 to 2000 amino acid residues. Figure 1 Why purify proteins? They are many reasons why a biochemist
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Topicity Our interest here is in exploring potential chirality: * Can we change one ligand of four on a tetrahedral atom to generate a chiral center? * Can we add one ligand to a trigonal atom to create a chiral center? * To answer these questions‚ we need to find planes of symmetry (mirror planes) and consider how to destroy them. * The precursor structures are called prochiral * The ligands are designated enantiotopic or diastereotopic depending on the outcome of the change
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Abstract Dopamine (DA) receptors‚ a class of G-protein coupled receptors (GPCRs)‚ have been targeted for drug development for the treatment of neurological‚ psychiatric and ocular disorders. The lack of structural information about GPCRs and their ligand complexes has prompted the development of homology models of these proteins aimed at structure-based drug design. Crystal structure of human dopamine D3 (hD3) receptor has been recently solved. Based on the hD3 receptor crystal structure we generated
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PE 220 EXAM 2 NOTE Cards Term Which of the following is an amphipathic molecule? Definition integral membrane protein Term If the direction of the net flux of an ion is against its electrochemical gradient‚ then that transport is passive. Definition False Term Of the gradients listed below‚ which is the most accurate description of the force that ultimately determines the movement of ions across the membrane? Definition Electrochemical gradient Term Which of the following pairs of
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membrane are as follows: G-protein coupled receptors (GPCR)‚ tyrosine kinase and ligand-gated ion channels. GPCR are receptor proteins with a G-protein combined so when a ligand locks in with the receptor the G-protein activates an enzyme that ultimately triggers a cell’s response. Tyrosine kinase is a membrane embedded receptor with the amino acid tyrosine. This receptor requires two ligands to function‚ once two ligands lock in their binding sites‚ the two receptors will come together. Once combined
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Synapses are an essential and fascinating part of communication within the central nervous system. They are the transmitters of chemical and electrical messages that cause us to see‚ feel‚ move and much more. The brain consists of around 100 billion neurons‚ each of which has around 7‚000 synaptic connections to other neurons. It has been estimated that a three year old child has 1‚000 trillion synapses‚ and since number of synapses decreases with age until it stabilises in adulthood it is estimated
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