| Literature DB >> 16781157 |
Alice Maria Rolim Bernardino1, Luiz Carlos da Silva Pinheiro, Carlos Rangel Rodrigues, Natália Izabel Loureiro, Helena Carla Castro, Adriana Lanfredi-Rangel, Juliano Sabatini-Lopes, Júlio César Borges, Jane Maria Carvalho, Gilberto Alves Romeiro, Vitor Francisco Ferreira, Izabel C P P Frugulhetti, Marcos André Vannier-Santos.
Abstract
In this work, we performed the design, synthesis, and the structure-activity relationship studies of 13 new derivatives of thieno[2,3-b]pyridine. These derivatives were prepared in high yields (96-70%) and their structures were elucidated by IR, (1)H, (13)C NMR, and MS. The biological results showed some derivatives as antiparasitic agents against Giardia lamblia. Computational analysis of HOMO and LUMO energy, HOMO orbital coefficient distribution, electrostatic potential map, dipole moment, and density HOMO was performed to gain insight into the SAR aspects. This study pointed the p-methoxy substituted derivative as a leading compound for the development of new microbicidal medicines based on thieno[2,3-b]pyridine analogs.Entities:
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Year: 2006 PMID： 16781157 DOI： 10.1016/j.bmc.2006.03.013
Source DB: PubMed Journal: Bioorg Med Chem ISSN： 0968-0896 Impact factor: 3.641