Nav: Home

Advances: Bioinformatics applied to development & evaluation of boron-containing compounds

May 01, 2017

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. Some successful cases are noteworthy in the treatment of cancer and infectious diseases.

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.That is clearly observed in the development of BCCs for being used in the medical field.

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

A broad range of computational approaches facilitate pharmacochemical analysis of BCCs. Most of these approaches focus 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. The article conveys information about pioneering advances and some studies of interatomic interactions between boron and any element related to organic chemistry. It also covers biological effects of BCCs.

Some studies have examined the properties of the boron atom in molecules for designing drugs and biomaterials, while other projects have attempted to identify the best quantitative structure-activity relationship for a specific target. However, the lack of 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. The potential of new advances in bioinformatics applied to study of BCCs would let us to understand in better way the electromagnetic behavior of the boron atom as well as the biochemical behavior of molecules in its structure under the conditions found in the environment for interactions triggering biological effects.

Some lacking parameters for boron for in silico assays about its biological effects, elemental properties, or parameters related to the element in an organometallic molecule, present an opportunity for research groups studying BCCs around the word.
Erik Andrade-Jorge, Ana Karen García-Ávila, Ana Lilia Ocampo-Néstor, José Guadalupe Trujillo-Ferrara and Marvin Antonio Soriano-Ursúa.

Escuela Superior de Medicina, Instituto Politécnico Nacional. Plan de San Luis y Salvador Díaz Mirón s/n, Casco de Santo Tomás, México City 11340, México.

Reference: Andrade-Jorge E. et al. (2017).Advances of bioinformatics applied to development and evaluation of boron-containing compounds, Curr. Org.Chem., DOI 10.2174/1385272821666170427124336

Bentham Science Publishers

Related Bioinformatics Articles:

A new tool to decipher evolutionary biology
A new bioinformatics tool to compare genome data has been developed by teams from the Max F.
Advances: Bioinformatics applied to development & evaluation of boron-containing compounds
The interest for developing boron-containing compounds as drugs is increasing after some successful cases.
When life sciences become data sciences
The University of Freiburg offers Europe-wide infrastructure and service in Bioinformatics.
Bioinformatics brings to light new combinations of drugs to fight breast cancer
A bioinformatics analysis of pairing 64 drugs used to treat breast cancer allows researchers at IRB Barcelona to identify 10 previously untested combinations with potential to tackle resistance to breast cancer treatment.
New bioinformatics tool tests methods for finding mutant genes that 'drive' cancer
Computational scientists and cancer experts have devised bioinformatics software to evaluate how well current strategies distinguish cancer-promoting mutations from benign mutations in cancer cells.
EDGE bioinformatics brings genomics to everyone
A new bioinformatics platform called Empowering the Development of Genomics Expertise (EDGE) will help democratize the genomics revolution by allowing users with limited bioinformatics expertise to quickly analyze and interpret genomic sequence data.
VirusDetect, a new bioinformatics pipeline for virus identification released
A new bioinformatics analysis tool developed by researchers at the Boyce Thompson Institute can help scientists to identify all known and novel viruses and viroids within small RNA datasets on a local to global scale.
RHAPSODY, a European symphony for personalized health of diabetes
The SIB Swiss Institute of Bioinformatics is part of a European consortium project -- coined RHAPSODY -- which reunites researchers and experts from 26 partner institutions in both the public and private sectors.
Bioinformatics software is developed to predict the effect of cancer-associated mutations
Biology and computing have joined forces to create a piece of software that analyses mutations in proteins; these mutations are potential inducers of diseases, such as cancer.
New book highlights research in emerging field of video bioinformatics
The first book to review the emerging interdisciplinary field of video bioinformatics was published in December by Springer.

Related Bioinformatics Reading:

Best Science Podcasts 2019

We have hand picked the best science podcasts for 2019. Sit back and enjoy new science podcasts updated daily from your favorite science news services and scientists.
Now Playing: TED Radio Hour

Moving Forward
When the life you've built slips out of your grasp, you're often told it's best to move on. But is that true? Instead of forgetting the past, TED speakers describe how we can move forward with it. Guests include writers Nora McInerny and Suleika Jaouad, and human rights advocate Lindy Lou Isonhood.
Now Playing: Science for the People

#527 Honey I CRISPR'd the Kids
This week we're coming to you from Awesome Con in Washington, D.C. There, host Bethany Brookshire led a panel of three amazing guests to talk about the promise and perils of CRISPR, and what happens now that CRISPR babies have (maybe?) been born. Featuring science writer Tina Saey, molecular biologist Anne Simon, and bioethicist Alan Regenberg. A Nobel Prize winner argues banning CRISPR babies won’t work Geneticists push for a 5-year global ban on gene-edited babies A CRISPR spin-off causes unintended typos in DNA News of the first gene-edited babies ignited a firestorm The researcher who created CRISPR twins defends...