TY - JOUR
T1 - Reverse Screening of Boronic Acid Derivatives
T2 - Analysis of Potential Antiproliferative Effects on a Triple-Negative Breast Cancer Model In Vitro
AU - Ortiz-Flores, Miguel
AU - González-Pérez, Marcos
AU - Portilla, Andrés
AU - Soriano-Ursúa, Marvin A.
AU - Pérez-Durán, Javier
AU - Montoya-Estrada, Araceli
AU - Ceballos, Guillermo
AU - Nájera, Nayelli
N1 - Publisher Copyright:
© 2023 by the authors.
PY - 2023/4
Y1 - 2023/4
N2 - 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.
AB - 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.
KW - anticancer drugs
KW - antiproliferative effect
KW - boron
KW - boronic
KW - breast cancer
UR - http://www.scopus.com/inward/record.url?scp=85153718589&partnerID=8YFLogxK
U2 - 10.3390/inorganics11040165
DO - 10.3390/inorganics11040165
M3 - Artículo
AN - SCOPUS:85153718589
SN - 2304-6740
VL - 11
JO - Inorganics
JF - Inorganics
IS - 4
M1 - 165
ER -