Strategy and algorithm for the synthesis of a new drug based on Groprinosin and a THC derivative
Author and developer – Sukhachev Denis Pavlovich
1. Choosing a THC derivative
- Use of a safe derivative, such as cannabidiol (CBD) or Delta-8-THC.
- Choosing a derivative with minimal psychoactivity and a high ability to activate CB2 receptors.
2. Determination of the reaction center of Groprinosin
- Using molecular docking to determine the least active site of the Groprinosin molecule.
- Choosing a site that is least involved in binding to immune cells.
3. Preparation of Groprinosin for conjugation
- Modification of Groprinosin by introduction of an active group (e.g. carboxylic or amino group).
- Stabilization of the molecule before the conjugation reaction.
4. Synthesis of a THC derivative
- Isolation and purification of Cannabidiol or Delta-8-THC.
- Adding a functional group to enable connection to Groprinosin.
5. Conjugation reaction
- Use of click chemistry (Gusigen-Stark reaction or cycloaddition of azide with alkynes).
- Ensuring the stability of a new molecule in biological fluids.
6. Cleaning and inspection
- Purification of a new drug by chromatography.
- Purity and composition analysis using mass spectrometry and NMR spectroscopy.
7. Modeling of biological properties
- Molecular docking: checking binding to CB2, CD4, NK receptors.
- Molecular dynamics: stability and behavior in the aqueous medium.
- Assessment of pharmacokinetics and pharmacodynamics.
8. Experimental research
- In vitro: activity in cell cultures, determination of cytotoxicity and antiviral effect.
- In vivo: animal testing, efficacy and safety assessment.
- Clinical trials: testing in the treatment of viral, autoimmune and oncological diseases.
9. Expected effect
- Strengthening immunity due to Groprinosin.
- Control of inflammation through activation of CB2 receptors.
- Minimizing side effects through the use of a safe THC derivative.
