TY - JOUR
T1 - 3-D-QSAR/CoMFA and recognition models of benzimidazole derivatives at the 5-HT(4) receptor
AU - López-Rodríguez, Maria L.
AU - Murcia, Marta
AU - Benhamú, Bellinda
AU - Viso, Alma
AU - Campillo, Mercedes
AU - Pardo, Leonardo
PY - 2001/11/5
Y1 - 2001/11/5
N2 - 3-D-QSAR/CoMFA methodology and computational simulation of ligand recognition have been successfully applied to explain the binding affinities of a series of benzimidazole derivatives 1-24 acting at serotonin 5-HT(4)Rs. Both derived computational models have facilitated the identification of the structural elements of the ligands that are key to high 5-HT(4)R affinity. The results provide the tools for predicting the affinity of related compounds, and for guiding the design and synthesis of new ligands with predetermined affinities and selectivity. © 2001 Elsevier Science Ltd. All rights reserved.
AB - 3-D-QSAR/CoMFA methodology and computational simulation of ligand recognition have been successfully applied to explain the binding affinities of a series of benzimidazole derivatives 1-24 acting at serotonin 5-HT(4)Rs. Both derived computational models have facilitated the identification of the structural elements of the ligands that are key to high 5-HT(4)R affinity. The results provide the tools for predicting the affinity of related compounds, and for guiding the design and synthesis of new ligands with predetermined affinities and selectivity. © 2001 Elsevier Science Ltd. All rights reserved.
UR - https://www.scopus.com/pages/publications/0035814078
U2 - 10.1016/S0960-894X(01)00517-0
DO - 10.1016/S0960-894X(01)00517-0
M3 - Article
SN - 0960-894X
VL - 11
SP - 2807
EP - 2811
JO - Bioorganic and Medicinal Chemistry Letters
JF - Bioorganic and Medicinal Chemistry Letters
IS - 21
ER -