Event Title

Computer-Aided Drug Design and Synthesis of Atazanavir Derivatives for HIV

Session Number

Project ID: MEDH 32

Advisor(s)

Dr. Peter Dong, Illinois Mathematics and Science Academy

Discipline

Medical and Health Sciences

Start Date

20-4-2022 10:05 AM

End Date

20-4-2022 10:20 AM

Abstract

There is no drug on the market that successfully “cures” HIV, which leaves millions of people in an endless cycle of symptom suppressing drugs. The goal of this research project was to design and synthesize a better and more efficient medication starting from an already existing drug on the market: atazanavir. Using a program called SeeSAR to modify the structure of the drug molecule, I designed over 150 new compounds and analyzed them using SwissADME in regards to binding affinity, Lipinski’s rules, CYP Inhibitors, GI Absorption, and LogP. Currently, I am in the process of synthesizing Atazanavir derivatives. I analyzed the theoretical and experimental NMR spectrography of the synthesized compounds.

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Apr 20th, 10:05 AM Apr 20th, 10:20 AM

Computer-Aided Drug Design and Synthesis of Atazanavir Derivatives for HIV

There is no drug on the market that successfully “cures” HIV, which leaves millions of people in an endless cycle of symptom suppressing drugs. The goal of this research project was to design and synthesize a better and more efficient medication starting from an already existing drug on the market: atazanavir. Using a program called SeeSAR to modify the structure of the drug molecule, I designed over 150 new compounds and analyzed them using SwissADME in regards to binding affinity, Lipinski’s rules, CYP Inhibitors, GI Absorption, and LogP. Currently, I am in the process of synthesizing Atazanavir derivatives. I analyzed the theoretical and experimental NMR spectrography of the synthesized compounds.