Pesquisa

Vanderlan - NuBBE database 15mar19

sex, 15 mar 2019

Publicado por

Authors:

Saldivar-Gonzalez, Fernanda I. 1 ; Valli, Marilia 2 ; Andricopulo, Adriano D. 3 ; Bolzani, Vanderlan da Silva 2 ; Medina-Franco, Jose L. 1


Abstract:

NuBBEDB is the first library of natural products of Brazilian biodiversity. It includes a large variety of classes of compounds and structural types of secondary metabolites of plants, fungi, insects, marine organisms, and bacteria. So far the chemical diversity and complexity of NuBBEDB have not been characterized in a systematic and detailed manner. Herein, we report a comprehensive chemoinformatic analysis of the most current version of NuBBEDB. As part of the characterization, NuBBEDB was compared with several databases of natural products in terms of structural diversity and complexity. Results of the analysis showed that NuBBEDB is diverse in terms of structural fingerprints, distribution of chemical scaffolds, and molecular properties. In addition, the results of the visualization of chemical space support quantitatively that NUBBEDB is a promising source of molecules for drug discovery and medicinal chemistry.


1  School of Chemistry, Department of Pharmacy, Universidad Nacional Autónoma de México, Avenida Universidad 3000, Mexico City 04510, Mexico

2  Nucleus of Bioassays, Biosynthesis and Ecophysiology of Natural Products (NuBBE), Department of Organic Chemistry, Institute of Chemistry, Sao Paulo State University – UNESP, 14800-060 Araraquara, Sao Paulo, Brazil

3  Laboratório de Química Medicinal e Computacional (LQMC), Centro de Pesquisa e Inovação em Biodiversidade e Fármacos, Institute of Physics of Sao Carlos, University of Sao Paulo – USP, 13563-120 Sao Carlos, Sao Paulo, Brazil


Link para o artigo:

https://pubs.acs.org/doi/10.1021/acs.jcim.8b00619

Cilli - Antimicrobial peptides15mar19

sex, 15 mar 2019

Publicado por

Authors:  

Lorenzon, Esteban N. 1 ; Piccoli, Julia P. 2 ; Santos-Filho, Norival A. 3 ; Cilli, Eduardo M. 2


Abstract:

Antimicrobial resistance is a global health problem with strong social and economic impacts. The development of new antimicrobial agents is considered an urgent challenge. In this regard, Antimicrobial Peptides (AMPs) appear to be novel candidates to overcome this problem. The mechanism of action of AMPs involves intracellular targets and membrane disruption. Although the exact mechanism of action of AMPs remains controversial, most AMPs act through membrane disruption of the target cell. Several strategies have been used to improve AMP activity, such as peptide dimerization. In this review, we focus on AMP dimerization, showing many examples of dimerized peptides and their effects on biological activity. Although more studies are necessary to elucidate the relationship between peptide properties and the dimerization effect on antimicrobial activity, dimerization constitutes a promising strategy to improve the effectiveness of AMPs.


1  Federal University of Jatai, Unidade Academica Especial da Saude, Jatai-GO, Brazil

2  Institute of Chemistry, Sao Paulo State University (UNESP), Araraquara, SP, Brazil

3  Sao Paulo State University (UNESP), Campus Experimental de Registro, Registro, Sao Paulo, Brazil


Link para o artigo;

http://www.eurekaselect.com/168709/article