Using Machine Learning to optimize drug discovery and development to counter viral proteins
Problem I am trying to solve
Traditional drug development is often costly and time consuming. Once the root cause of a disease is found often manifesting as a protein, scientists meticulously begin to identify the different molecules to inhibit these disease triggers. However, only 1 out of 5000 drugs tested on non human subjects make it in the Phase 1 trial and ever fewer pass the Phase 3 trial. It takes more than a billion dollars to bring a drug through clinical trials to market.
Goal of my project
By utilizing algorithms in deep learning technologies, and computing power offered by Cloud services I aim to a) develop an integrated prototype that can generate novel drug-like molecules b) investigate their effects on existing proteins - potentially finding new drugs for existing diseases and paving a way to discover a cure for new diseases in a much shortened cycle. This would help to streamline the drug discovery pipeline, lower drug development costs and accelerate market entry.
Prototype design
IC50 score determines the quantity of the drug necessary to decrease the viral protein’s function by 50%. A lower IC50 score is a better drug, as a low concentration of the drug will be required to inhibit the protein
Testing
To test test the validity of the prototype as a functional model, it will be tested on 4 proteins :
Histone deacetylase 1 - (produced by fungal infection Candida albicans)
Phosphatidylinositol 4-kinase alpha (PI4KA) - (produced by Hepatitis C)
SYK Kinase
Glutaminase kidney isoform, mitochondrial
Each of these proteins already have FDA approved drugs
A value between 0 to 50 nM makes is potentially viable
Results
Mentors and Advisors :
Mr. John Shelby, Computer Science, Homestead High School
Mr. Sam Fung, Chemistry, Homestead High School
Recognition 2021
Grand Prize Student Award, High School (9 -12)
Invited speaker to ACM Conference June 2021
STEM certificate of recognition and ceremony from Mayor of Sunnyvale Larry Klien
Homestead High School Mustang Achievement
