Author(s):
Junior, Leonardo Rander Asse ; Kronenberger, Thales ; Serafim, Mateus Sá Magalhães ; Sousa, Yamara Viana ; Franco, Isabella Drumond ; Valli, Marilia [UNESP] ; Bolzani, Vanderlan Da Silva [UNESP] ; Monteiro, Gustavo Claro [UNESP] ; Prates, João Lucas Bruno [UNESP] ; Kroon, Erna Geessien ; Mota, Bruno Eduardo Fernandes ; Santos Ferreira, Diego Dos ; De Oliveira, Renata Barbosa ; Maltarollo, Vinicius Gonçalves
Date: 2020
Persistent ID: http://hdl.handle.net/11449/199905
Origin: Oasisbr
Subject(s): antibacterial; FabI inhibitors; ligand-based virtual screening; MRSA; similarity search; Staphylococcus aureus
Description
Made available in DSpace on 2020-12-12T01:52:29Z (GMT). No. of bitstreams: 0 Previous issue date: 2019-01-01
Aim: Antibiotic resistance is an alarming issue, as multidrug-resistant bacteria are growing worldwide, hence the decrease of therapeutic potential of available antibiotic arsenal. Among these bacteria, Staphylococcus aureus was pointed by the WHO in the pathogens list to be prioritized in drug development. Methods: We report the use of chemical similarity models for the virtual screening of new antibacterial with structural similarity to known inhibitors of FabI. The potential inhibitors were experimentally evaluated for antibacterial activity and membrane disrupting capabilities. Results & conclusion: These models led to the finding of four new compounds with antibacterial activity, one of which having antimicrobial activity already reported in the literature.
Departamento de Produtos Farmacêuticos Faculdade de Farmácia Universidade Federal de Minas Gerais (UFMG), Av. Antônio Carlos, 6627
Department of Internal Medicine VIII University Hospital of Tübingen, Otfried-Müller-Strasse 14
Departamento de Microbiologia Instituto de Ciências Biológicas UFMG, Av. Antônio Carlos, 6627
Departamento de Análises Clínicas e Toxicológicas Faculdade de Farmácia UFMG, Av. Antônio Carlos, 6627
Núcleo de Bioensaios Biossíntese e Ecofisiologia de Produtos Naturais (NuBBE) Departamento de Química Orgânica Instituto de Química Universidade Estadual Paulista (UNESP)
Núcleo de Bioensaios Biossíntese e Ecofisiologia de Produtos Naturais (NuBBE) Departamento de Química Orgânica Instituto de Química Universidade Estadual Paulista (UNESP)
