Quantum mechanical, molecular docking, molecular dynamics, ADMET and antiproliferative activity on Trypanosoma cruzi (Y strain) of chalcone (E)-1-(2-hydroxy-3,4,6-trimethoxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-one derived from a natural product.
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| Title: | Quantum mechanical, molecular docking, molecular dynamics, ADMET and antiproliferative activity on Trypanosoma cruzi (Y strain) of chalcone (E)-1-(2-hydroxy-3,4,6-trimethoxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-one derived from a natural product. |
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| Authors: | Geysillene Castro Matos M; State University of Ceará, Center for Science and Technology, Postgraduate Program in Natural Sciences, Fortaleza, CE, Brazil. helciodossantos@gmail.com., da Silva LP; Federal University of Ceará, Department of Analytical Chemistry and Physical Chemistry, Campus do Pici, Fortaleza, CE, Brazil., Wagner Queiroz Almeida-Neto F; Federal University of Ceará, Department of Analytical Chemistry and Physical Chemistry, Campus do Pici, Fortaleza, CE, Brazil., Machado Marinho E; Federal University of Ceará, Department of Analytical Chemistry and Physical Chemistry, Campus do Pici, Fortaleza, CE, Brazil., Róseo Paula Pessoa Bezerra de Menezes R; Federal University of Ceará, Department of Clinical and Toxicological Analysis, Fortaleza, CE, Brazil., Lima Sampaio T; Federal University of Ceará, Department of Clinical and Toxicological Analysis, Fortaleza, CE, Brazil., Nunes da Rocha M; State University of Ceará, Faculty of Philosophy Dom Aureliano Matos, Limoeiro do Norte, CE, Brazil., Rodrigues Ribeiro L; Federal University of Ceará, Department of Clinical and Toxicological Analysis, Fortaleza, CE, Brazil., Paula Magalhaes E; Federal University of Ceará, Department of Clinical and Toxicological Analysis, Fortaleza, CE, Brazil., Rodrigues Teixeira AM; State University of Ceará, Center for Science and Technology, Postgraduate Program in Natural Sciences, Fortaleza, CE, Brazil. helciodossantos@gmail.com., Dos Santos HS; State University of Ceará, Center for Science and Technology, Postgraduate Program in Natural Sciences, Fortaleza, CE, Brazil. helciodossantos@gmail.com.; State University of Vale do Acaraú, Center for Exact Sciences and Technology, Sobral, CE, Brazil.; Regional University of Cariri, Department of Biological Chemistry, Crato, CE, Brazil., Marinho ES; State University of Ceará, Faculty of Philosophy Dom Aureliano Matos, Limoeiro do Norte, CE, Brazil.; Regional University of Cariri, Department of Biological Chemistry, Crato, CE, Brazil., de Lima-Neto P; Federal University of Ceará, Department of Analytical Chemistry and Physical Chemistry, Campus do Pici, Fortaleza, CE, Brazil., Costa Martins AM; Federal University of Ceará, Department of Clinical and Toxicological Analysis, Fortaleza, CE, Brazil., Monteiro NKV; State University of Ceará, Center for Science and Technology, Postgraduate Program in Natural Sciences, Fortaleza, CE, Brazil. helciodossantos@gmail.com., Machado Marinho M; Faculty of Education, Science and Letters of Iguatu, State University of Ceará, Iguatu, CE, Brazil. |
| Source: | Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2022 Feb 23; Vol. 24 (8), pp. 5052-5069. Date of Electronic Publication: 2022 Feb 23. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: Royal Society of Chemistry Country of Publication: England NLM ID: 100888160 Publication Model: Electronic Cited Medium: Internet ISSN: 1463-9084 (Electronic) Linking ISSN: 14639076 NLM ISO Abbreviation: Phys Chem Chem Phys Subsets: MEDLINE |
| Database: | MEDLINE Ultimate |
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