Molecular Similarity within Carcinogen and Guanine Cyclic Nucleotide Structures

Abstract

Tumor promoters, apoptosis and autophagy modulators, chemotherapy drugs, and endogenous steroids demonstrate molecular similarity relative to cyclic nucleotide structure. This study explores relative molecular similarity within established human carcinogen structures using computational chemistry software. Molecular structures of conventional carcinogenic drugs and industrial agents demonstrate molecular similarity with a focus on the guanine base and nucleotide cyclized ring. Structures of volatile and gaseous anesthetic carcinogens do not conform to conventional 3-point pharmacophore-based fits characteristic of receptor-binding drugs. The results of this study provide some insight into how carcinogen structures may interact with endogenous compounds to disrupt cyclic nucleotide-driven homeostatic mechanisms.