The Similarity Analysis Module In Spartan 14

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The Similarity Analysis Module in Spartan’14 was used the calculate the similarity score for each of the benzodiazepines compared to the benzodiazepine active site on the chloride receptor. Of the benzodiazepines studied, it was found that lorazepam has the best fit for the active site because it had the highest similarity score compared to the pharmacophore and the lowest number of collisions with the wall of the active site. AutoDock Vina was also used to calculate the binding affinity of each benzodiazepine with the active site on the chloride receptor. It was found that diazepam, lorazepam and midazolam all have the lowest binding affinity of -9.8 kcal/mol and therefore are more likely to bind to the active site. Combining these results

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