Aymen B's Senior Project Blog

Project Title: Computationally Comparing CBD
BASIS Advisor: John Goodwin
Internship Location: ASU
Onsite Mentor: Jeff Yarger



Project Abstract

The title of the project is Computationally Comparing CBD. The research will test different variants of CBD to find the cheapest and most neurointeractive variant of CBD through computational simulation of interactions between CBD and neurotransmitter/biopolymers. CBD is one of the drugs that require the highest dosages to produce psychoactive pain relief and relaxation effects, and producing more interactive CBD would decrease the dosage required to benefit from these effects while decreasing costs for both consumers and farmers of the drug. The result hoped for is a new variant of CBD that proves to be more interactive to humans while providing a cheaper holistic cost for growing and purchasing the drug.hoped for result is that fluorinated CBD will prove to be more interactive to humans, while not creating too much of an additional cost.

    My Posts:

  • Part 12: Conclusions and Reflections!

    NMRium is an extremely useful technology for chemical composition analysis but is limited in independent practicality for this study. NMRium can be used alongside more specialized software and technologies to analyze both chemical composition, properties, and neurotransmitter activity. Virtual Kinome Profiler and DeCREaSE could be more specialized software that I would want to experiment with... Read More

  • Part 11: Finalizing Results

    The past few weeks have given us a well-rounded understanding of the capabilities of NMRium as a contributor for evaluating CBD derivative properties and interactions. Our 2 spectra graphs last week shows the main purpose capability of the software. This week, I want to look into any known alternative applications of the software in outside... Read More

  • Part 10: NMRium for Chemical Compositon

    As we approach the final weeks of definitive research in this project, I've been spending a lot more time both experimenting with the NMRium software and researching into its applications. I've sampled CBD solutions and differentiated them through small changes in solute concentration/differences in type of solute; NMRium proved to be laser accurate in identifying... Read More

  • Part 9: Neurotransmitter and CBD interaction Spectroscopy

    With our revelations around NMRium's high capabilities as a means of sampling and identifying chemical composition, I've looked more into technologies that allow us to analyze/compare neurotransmitter spectra (brain activity) with our CBD derivative spectra. The question I want to answer is if these neurotransmitter spectra can be used alongside the CBD derivative spectra to... Read More

  • Part 8: Learning NMRium

    To better understand what the NMRium software can do for pharmacology research, I've started experimenting with all features of the software. Running different spectra tests,  gauging chemical structures within the software, and also integrating our proton peaks to see whether the software can identify minute differences between different CBD solutions. I worked closely with Dr.... Read More

  • Part 7: Research into MRI

    As we tested with NMRium in the week previous, our data is mainly indicative of chemical composition more than chemical properties and interactions. I have been looking more into other magnetic resonance technologies such as MRI as a means for studying chemical interactions, particularly within brain regions. These MRI spectra and data may gauge a... Read More

  • Part 6: NMRium Tests

    Around this time, we are now using NMRium as the main testing software for our research. The goal is to evaluate whether or not it can work independently in evaluating CBD derivatives and the interactions they have with our neurotransmitters. This week, I'll be taking a closer look at what NMRium has to offer in... Read More

  • Part 5: Let the Computation Begin!

    After weeks of determining and gathering various cannabinoid and cyclodextrin solutions, we can finally begin looking at our spectroscopy graphs and chemical interactions in computational simulations. We are planning on using Gaussview, a graphical interface system, to visualize some of the chemical interactions within our solutions that can give us a visual representation of why... Read More

  • Part 4: New Solvents!

    This week we've been testing our original solution of 3 mg CBD, 15 ML beta-methylated cyclodextrine, and 1 mL of DMSO with a randomly methylated cyclodextrine in substitution of the beta-methylated cyclodextrine in the same amount. In the image below, we can observe our original beta methylated cyclodextrine solution with CBD and DMSO to have... Read More

  • Part 3: Testing the waters (and the solutes!)

    With our first round of our completed data going well, we have moved on to a new solution of CBD to compare within different cyclodextrines. Read More

  • Part 2: New data!

    As all of our data from last week's samples has completely been uploaded to our NMR data software, we can now start taking a look at some of the spectroscopy graphs and assign properties to each sample. This week, I've been playing around with simpler compounds in the software to learn how to read the... Read More

  • Hello World! Welcome to my project, “Computationally Comparing CBD”. Part 1: Our First Samples

    Hello everyone. Our first research session was dedicated to gathering data to sample interactions between CBD and its common solvents that make the drug more soluble in the body. We are testing 2 types of cyclodextrins (chemicals used to make CBD more soluble), randomly methylated beta-cyclodextrin and 2-hydroxypropyl beta-cyclodextrin. The solutions were loaded into 4... Read More