A novel antiplasmodial compound: integration of in silico and in vitro assays-Reference-Cited by-同舟云学术

A novel antiplasmodial compound: integration of in silico and in vitro assays

Published:2021-02-08 Issue: Volume: Page:1-13
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Costa Júnior David Bacelar¹,Araújo Janay Stefany Carneiro¹,Oliveira Larissa de Mattos¹,Neri Flávio Simas Moreira²,Moreira Paulo Otávio Lourenço³,Taranto Alex Gutterres⁴^ORCID,Fonseca Amanda Luisa⁵^ORCID,Varotti Fernando de Pilla⁵,Leite Franco Henrique Andrade¹²⁶^ORCID

Affiliation:

1. Programa de pós-graduação em Biotecnologia, Universidade Estadual de Feira de Santana, Feira de Santana, Brazil

2. Programa de pós-graduação em Ciências Farmacêuticas, Universidade Estadual de Feira de Santana, Feira de Santana, Brazil

3. Programa de pós-graduação em Biotecnologia, Universidade Federal de São João Del-Rei, Feira de Santana, Brazil

4. Laboratório de Bioinformática e Desenho de Fármacos, Universidade Federal de São João Del-Rei, Feira de Santana, Brazil

5. Laboratório de Bioquímica Medicinal, Universidade Federal de São João Del-Rei, Feira de Santana, Brazil

6. Laboratório de Qumioinformática e Avaliação Biológica, Universidade Estadual de Feira de Santana, Feira de Santana, Brazil

Funder

PPGBiotec of Federal University of São João del-Rei

National Council for Scientific and Technological Development – CNPq

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2021.1882339

Reference66 articles.

1. GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

2. Abordagem racional no planejamento de novos tuberculostáticos: inibidores da InhA, enoil-ACP redutase do M. tuberculosis

3. Identification of new promising Plasmodium falciparum superoxide dismutase allosteric inhibitors through hierarchical pharmacophore-based virtual screening and molecular dynamics

4. Identification of novel Aedes aegypti odorant-binding protein 1 modulators by ligand and structure-based approaches and bioassays

5. Benzothiophene carboxamide derivatives as inhibitors of Plasmodium falciparum enoyl-ACP reductase

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