Design, molecular docking analysis of an anti-inflammatory drug, computational analysis and intermolecular interactions energy studies of 1-benzothiophene-2-carboxylic acid

In this paper, theoretical study on molecular geometry, vibrational, pharmaceutical and electronic properties of the monomeric and dimeric structures of 1-benzothiophene-2-carboxylic acid (2BT) were carried out using B3LYP hybrid functional with 6-311++G(d,p) as basis set. The structural study show...

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Detalles Bibliográficos
Autores principales: Sagaama, Abir, Issaoui, Noureddine
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier Ltd. 2020
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7384430/
https://www.ncbi.nlm.nih.gov/pubmed/32739798
http://dx.doi.org/10.1016/j.compbiolchem.2020.107348

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7384430/
https://www.ncbi.nlm.nih.gov/pubmed/32739798
http://dx.doi.org/10.1016/j.compbiolchem.2020.107348

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