Reverse Screening of Boronic Acid Derivatives: Analysis of Potential Antiproliferative Effects on a Triple-Negative Breast Cancer Model In Vitro

Abstract

It has been demonstrated that different organoboron compounds interact with some well-known molecular targets, including serine proteases, transcription factors, receptors, and other important molecules. Several approaches to finding the possible beneficial effects of boronic compounds include various in silico tools. This work aimed to find the most probable targets for five aromatic boronic acid derivatives. In silico servers, SuperPred, PASS-Targets, and Polypharmacology browser 2 (PPB2) suggested that the analyzed compounds have anticancer properties. Based on these results, the antiproliferative effect was evaluated using an in vitro model of triple-negative breast cancer (4T1 cells in culture). It was demonstrated that phenanthren-9-yl boronic acid and 6-hydroxynaphthalen-2-yl boronic acid have cytotoxic properties at sub-micromolar concentrations. In conclusion, using in silico approaches and in vitro analysis, we found two boronic acid derivatives with potential anticancer activity.

Boron Applications in Prevention, Diagnosis and Therapy for High Global Burden Diseases

“…However, innovative mechanisms have been proposed or probed in multiple cancer cells. In this regard, Ortiz-Flores et al carried out the identification of BCCs active on triple-negative breast cancer cells; they demonstrated that phenanthren-9-yl boronic acid and 6-hydroxynaphthalen-2-yl boronic acid have cytotoxic properties at sub-micromolar concentrations; however, the establishment of the mechanism of action requires additional evaluation [10]. Meanwhile, Oguzcan et al reported borenium and borinium derivatives as safe compounds in healthy human cells, but with moderate action against glioblastoma, neuroblastoma, prostate, and pharyngeal cancer cell lines [11].…”