Alzheimer’s disease (AD) is an irreversible and progressive disease that affects the brain. It slowly destroys brain cells, leading to memory loss, hindering thinking skills, and on the long run affects even the simplest daily tasks of the patient. The purpose of this research is to modify current on market medications of Alzheimer’s Disease through the use of computational chemistry using Gaussian 09. The modifications include adding functional groups such as Carboxyl, Hydroxyl or Fluorine atoms. The eventual outcome of this research is to achieve an enhanced IC50 value (a measure of their effectiveness in inhibiting a specific biological function) through plotting graphs of correlations of Energy values (obtained from optimization of molecules on Gaussian) and IC50 values. Preliminary results current results indicate a promising outcome where 5 modifications of each original medicine were done, and 2 sets of modifications have successfully given a lower IC50 value (enhanced binding affinity).

Computational modeling of drug design for Alzheimer’s disease

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.