Advances of Bioinformatics Applied to Development and Evaluation of Boron-Containing Compounds

Title:Advances of Bioinformatics Applied to Development and Evaluation of Boron-Containing Compounds

Volume: 22 Issue: 3

Author(s): Erik Andrade-Jorge, Ana K. Garcia-Avila, Ana L. Ocampo-Nestor, Jose G. Trujillo-Ferrara and Marvin A. Soriano-Ursua*

Affiliation:

• Departamento de Fisiologia, Seccion de Estudios de Posgrado e Investigacion. Escuela Superior de Medicina, Instituto Politecnico Nacional. Plan de San Luis y Salvador Diaz Miron s/n, Casco de Santo Tomas, Mexico City 11340,Mexico

Keywords: Boron, organo-metallic, drug design, bioinformatics, computational chemistry, docking, molecular dynamics.

Abstract: Background: In the last few decades, research into boron-containing compounds (BCCs) has notably increased in medicinal chemistry. Multiple maladies are now targeted by means of BCCs. Since bioinformatics tools have become a common and efficient methodology for drug design and materials science, their application to the study of BCCs is expected to intensify.

Objective: This review compiles the use of computational technology to elucidate the chemical-biological effects of BCCs, whether coming from natural sources or drug development strategies.

Results: A broad range of computational approaches facilitate pharmacochemical analysis of BCCs. The most focusing on the essential parameters of a boron atom, the reasons for an experimental event, and the shared pharmacodynamics, pharmacokinetics or toxic effects of components of a group of BCCs.

Conclusions: Some studies have examined the properties of the boron atom in molecules for designing drugs and biomaterials, others have been aimed to identify the best quantitative structure-activity relationship for a specific target, but lacking some experimental and theoretical data limit the use of boron in theoretical assays. A final remark is made as to the potential impact on BCC research that could result from advances in bioinformatics.

Cite this article as:

Andrade-Jorge Erik , Garcia-Avila K. Ana , Ocampo-Nestor L. Ana , Trujillo-Ferrara G. Jose and Soriano-Ursua A. Marvin *, Advances of Bioinformatics Applied to Development and Evaluation of Boron-Containing Compounds, Current Organic Chemistry 2018; 22 (3) . https://dx.doi.org/10.2174/1385272821666170427124336