Theoretical Analysis of Interaction Between Twenty-Five Cannabinoid Derivatives with Interleukin-6
Year: 2024
Type: article
Abstract: Cancer is one of the leading causes of death worldwide; this clinical pathology is associated with the activation or release of several biomolecules, among which are interleukins. In this way, some studies suggest that interleukin-6 can modulate cancer cell growth. For this reason, some interleukin-6 inhibitors have been used to decrease cancer cell growth; however, their interaction with this biomolecule is unclear. Analyzing these data, this research carried out a theoretical study on the interaction of cannabinoid derivatives (compounds 1 to 25) with the interleukin-6 surface using 1N26 protein as a theoretical tool. Besides, this interaction was compared with the possible interaction of some interleukin-6 inhibitors, such as madindoline A, clarithromycin, tenidap, and a benzoxazole derivative. The results showed different amino acid residues involved in the interaction of cannabinoid derivatives with 1N26 protein surface compared with madindoline A, clarithromycin, tenidap, and benzoxazole derivatives. Other data show that the inhibition constant for 5, 9, 12, 15, 18, and 19-24 was lower than that of madindoline A, clarithromycin, tenidap, and benzoxazole derivatives. In conclusion, cannabinoids 5, 9, 12, 15, 18, and 19-24 could be a good alternative as interleukin-6 inhibitors to decrease cancer cell growth.
Language: English
Subfield: Computational Theory and Mathematics
Field: Computer Science
Domain: Physical Sciences
Open Access status: diamond
OpenAlex ID: W4406264396