Recommanded Product: 3-Methoxyphenylboronic acidIn 2021 ,《Modifications on the tetrahydroquinoline scaffold targeting a phenylalanine cluster on GPER as antiproliferative compounds against renal, liver and pancreatic cancer cells》 was published in Pharmaceuticals. The article was written by Mendez-Luna, David; Morelos-Garnica, Loreley Araceli; Garcia-Vazquez, Juan Benjamin; Bello, Martiniano; Padilla-Martinez, Itzia Irene; Fragoso-Vazquez, Manuel Jonathan; Gonzalez, Alfonso Duenas; De Pedro, Nuria; Gomez-Vidal, Jose Antonio; Mendoza-Figueroa, Humberto Lubriel; Correa-Basurto, Jose. The article contains the following contents:
The implementation of chemo- and bioinformatics tools is a crucial step in the design of structure-based drugs, enabling the identification of more specific and effective mols. against cancer without side effects. In this study, three new compounds were designed and synthesized with suitable absorption, distribution, metabolism, excretion and toxicity (ADME-tox) properties and high affinity for the G protein-coupled estrogen receptor (GPER) binding site by in silico methods, which correlated with the growth inhibitory activity tested in a cluster of cancer cell lines. Docking and mol. dynamics (MD) simulations accompanied by a mol. mechanics/generalized Born surface area (MMGBSA) approach yielded the binding modes and energetic features of the proposed compounds on GPER. These in silico studies showed that the compounds reached the GPER binding site, establishing interactions with a phenylalanine cluster (F206, F208 and F278) required for GPER mol. recognition of its agonist and antagonist ligands. Finally, a 3-(4,5-dimethylthiazol-2-yl)2,5-diphenyltetrazolium bromide (MTT) assay showed growth inhibitory activity of compounds 4, 5 and 7 in three different cancer cell lines-MIA Paca-2, RCC4-VA and Hep G2-at micromolar concentrations These new mols. with specific chem. modifications of the GPER pharmacophore open up the possibility of generating new compounds capable of reaching the GPER binding site with potential growth inhibitory activities against nonconventional GPER cell models.3-Methoxyphenylboronic acid(cas: 10365-98-7Recommanded Product: 3-Methoxyphenylboronic acid) was used in this study.
3-Methoxyphenylboronic acid(cas: 10365-98-7) belongs to boronic acids. Boronic acids are mild Lewis acids which are generally stable and easy to handle, making them important to organic synthesis.Recommanded Product: 3-Methoxyphenylboronic acid
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Ether | (C2H5)2O – PubChem