QSAR-3D/CoMFA em compostos imídicos com atividade antinociceptiva
AUTOR(ES)
Walter, Maria Elena, Almeida, Vera Lúcia, Nunes, Ricardo José
FONTE
Quím. Nova
DATA DE PUBLICAÇÃO
2013
RESUMO
Imide compounds have shown biological activity. These compounds can be easily synthesized with good yields. The objective of this paper was the rational planning of imides and sulfonamides with antinociceptive activity using the 3D-QSAR/CoMFA approach. The studies were performed using two data sets. The first set consisted of 39 cyclic imides while the second set consisted of 39 imides and 15 sulfonamides. The 3D- QSAR/CoMFA models have shown that the steric effect is important for the antinociceptive activity of imide and sulphonamide compounds. Ten new compounds with improved potential antinociceptive activity have been proposed by de novo design leapfrog simulations.
Documentos Relacionados
- Estudos de QSAR-3D em derivados 5-nitro-2-tiofilidênicos com atividade frente a Staphylococcus aureus multi-resistente
- Molecular design, 2D-QSAR and 3D-QSAR studies of 5-nitro-2-thiophylidene derivatives with antimicrobial activity against multidrug-resistant Staphylococcus aureus (BEC - Brazilian Endemic Clone)
- On the information content of 2D and 3D descriptors for QSAR
- Estudos de relações estrutura-atividade quantitativas (QSAR) de bis-benzamidinas com atividade antifúngica
- 2D and 3D QSAR studies of the receptor binding affinity of progestins