Scoring Functions and Modeling of Structure-Activity Relationships for Cannabinoid Receptors

Authors

  • Fatima Sapundzhi

DOI:

https://doi.org/10.3991/ijoe.v15i11.10893

Keywords:

scoring functions, CB1, CB2, computer modeling, structure-activity relationships

Abstract


Computer-aided drug design could help much in the field of bioinformatics and biomedical engineering if there is a good model of CB1 and CB2 receptors and a suitable algorithm for the obtained ligand-receptor complex. The purpose of this article is to find the most appropriate scoring function and model for docking between cannabinoid ligands and cannabinoid receptors that correlate well with the data from biological activity of the compounds. The analysis of the obtained results indicates that the values of the ChemScore function correlate with the biological activity data at the highest degree and obtained correlation has a biological sense. This combination will allow us to test virtually a large number of potential cannabinoid ligands.

Author Biography

Fatima Sapundzhi



We hope that presented manuscript is in the scope of the journal, and we would be very glad if you accepted for publishing in “International Journal of Online and Biomedical Engineering (iJOE)”.

Sincerely yours,


Fatima Sapundzhi

South-West University,
66, Ivan Mihailov Str., 
Blagoevgrad 2700, Bulgaria
E-mail: sapundzhi@swu.bg

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Published

2019-07-16

How to Cite

Sapundzhi, F. (2019). Scoring Functions and Modeling of Structure-Activity Relationships for Cannabinoid Receptors. International Journal of Online and Biomedical Engineering (iJOE), 15(11), pp. 139–145. https://doi.org/10.3991/ijoe.v15i11.10893

Issue

Section

Short Papers