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.
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.