Synthesis, Purification, and Computer Modeling of I80-H37

Abstract

"Heteroaryl compounds have been shown to hold a prospective significance in pharmaceutical circumstances. I80 and H37 represent the molecules tropinone and 3- bromoquinolone, respectively. As such, this research focuses on the synthesis of heteroaryl compounds with a tropinone scaffold. Furthermore, the efficacy of these target compounds as an aromatase inhibitor can be analyzed. To predict this, computer modeling was utilized with relation to three major molecular interactions: hydrogen bonding, heme chelation, and hydrophobic interactions. Molecules that contain these interactions are thus an effective aromatase inhibitor. This is correspondingly reflected through the molecule’s docking score-- a higher score demonstrates stronger inhibiting properties."